id	sid	tid	token	lemma	pos
iajs-627	1	1	261	261	NUM
iajs-627	1	2	مجلة	مجلة	NOUN
iajs-627	1	3	إبن	إبن	VERB
iajs-627	1	4	الهيثم	الهيثم	ADJ
iajs-627	1	5	للعلوم	للعلوم	NOUN
iajs-627	1	6	الصرفة	الصرفة	NOUN
iajs-627	2	1	و	و	PRON
iajs-627	2	2	التطبيقية	التطبيقية	ADJ
iajs-627	2	3	2012	2012	NUM
iajs-627	2	4	السنة	السنة	NOUN
iajs-627	2	5	25	25	NUM
iajs-627	3	1	المجلد	المجلد	NOUN
iajs-627	4	1	1	1	NUM
iajs-627	5	1	العدد	العدد	PROPN
iajs-627	5	2	ibn	ibn	PROPN
iajs-627	5	3	al	al	PROPN
iajs-627	5	4	-	-	PUNCT
iajs-627	5	5	haitham	haitham	PROPN
iajs-627	5	6	journal	journal	PROPN
iajs-627	5	7	for	for	ADP
iajs-627	5	8	pure	pure	ADJ
iajs-627	5	9	and	and	CCONJ
iajs-627	5	10	applied	apply	VERB
iajs-627	5	11	science	science	NOUN
iajs-627	5	12	no	no	NOUN
iajs-627	5	13	.	.	NOUN
iajs-627	5	14	1	1	NUM
iajs-627	5	15	vol	vol	NOUN
iajs-627	5	16	.	.	PUNCT
iajs-627	6	1	25	25	NUM
iajs-627	6	2	year	year	NOUN
iajs-627	6	3	2012	2012	NUM
iajs-627	6	4	molecular	molecular	ADJ
iajs-627	6	5	dynamics	dynamic	NOUN
iajs-627	6	6	simulation	simulation	NOUN
iajs-627	6	7	of	of	ADP
iajs-627	6	8	imidazole	imidazole	NOUN
iajs-627	6	9	aqueous	aqueous	ADJ
iajs-627	6	10	solution	solution	NOUN
iajs-627	6	11	at	at	ADP
iajs-627	6	12	298.15	298.15	NUM
iajs-627	6	13	,	,	PUNCT
iajs-627	6	14	303.15	303.15	NUM
iajs-627	6	15	and	and	CCONJ
iajs-627	6	16	308.15	308.15	NUM
iajs-627	6	17	k	k	PROPN
iajs-627	6	18	y.	y.	PROPN
iajs-627	6	19	i.	i.	PROPN
iajs-627	6	20	mohammed	mohammed	PROPN
iajs-627	6	21	department	department	PROPN
iajs-627	6	22	of	of	ADP
iajs-627	6	23	chemistry	chemistry	NOUN
iajs-627	6	24	,	,	PUNCT
iajs-627	6	25	college	college	NOUN
iajs-627	6	26	of	of	ADP
iajs-627	6	27	education	education	PROPN
iajs-627	6	28	ibn	ibn	PROPN
iajs-627	6	29	al	al	PROPN
iajs-627	6	30	-	-	PUNCT
iajs-627	6	31	haitham	haitham	PROPN
iajs-627	6	32	,	,	PUNCT
iajs-627	6	33	university	university	PROPN
iajs-627	6	34	of	of	ADP
iajs-627	6	35	baghdad	baghdad	PROPN
iajs-627	6	36	received	receive	VERB
iajs-627	6	37	in	in	ADP
iajs-627	6	38	:	:	PUNCT
iajs-627	6	39	21	21	NUM
iajs-627	6	40	june	june	PROPN
iajs-627	6	41	2011	2011	NUM
iajs-627	6	42	accepted	accept	VERB
iajs-627	6	43	in	in	ADP
iajs-627	6	44	:	:	PUNCT
iajs-627	6	45	16	16	NUM
iajs-627	6	46	november	november	PROPN
iajs-627	6	47	2011	2011	NUM
iajs-627	6	48	abstract	abstract	ADJ
iajs-627	6	49	m	m	NOUN
iajs-627	6	50	d	d	NOUN
iajs-627	6	51	simulation	simulation	NOUN
iajs-627	6	52	of	of	ADP
iajs-627	6	53	imidazole	imidazole	NOUN
iajs-627	6	54	aqueous	aqueous	ADJ
iajs-627	6	55	solution	solution	NOUN
iajs-627	6	56	at	at	ADP
iajs-627	6	57	298.15	298.15	NUM
iajs-627	6	58	,	,	PUNCT
iajs-627	6	59	303.15	303.15	NUM
iajs-627	6	60	and	and	CCONJ
iajs-627	6	61	308.15	308.15	NUM
iajs-627	6	62	k	k	NOUN
iajs-627	6	63	was	be	AUX
iajs-627	6	64	carried	carry	VERB
iajs-627	6	65	out	out	ADP
iajs-627	6	66	by	by	ADP
iajs-627	6	67	using	use	VERB
iajs-627	6	68	opls	opls	NOUN
iajs-627	6	69	force	force	NOUN
iajs-627	6	70	field	field	NOUN
iajs-627	6	71	from	from	ADP
iajs-627	6	72	this	this	DET
iajs-627	6	73	simulation	simulation	NOUN
iajs-627	6	74	we	we	PRON
iajs-627	6	75	calculate	calculate	VERB
iajs-627	6	76	rdf	rdf	NOUN
iajs-627	6	77	of	of	ADP
iajs-627	6	78	n	n	CCONJ
iajs-627	6	79	-	-	PUNCT
iajs-627	6	80	h	h	NOUN
iajs-627	6	81	…	…	PUNCT
iajs-627	6	82	oh2	oh2	NOUN
iajs-627	6	83	and	and	CCONJ
iajs-627	6	84	n	n	CCONJ
iajs-627	6	85	…	…	PUNCT
iajs-627	7	1	hoh	hoh	NOUN
iajs-627	7	2	type	type	NOUN
iajs-627	7	3	of	of	ADP
iajs-627	7	4	interactions	interaction	NOUN
iajs-627	8	1	,	,	PUNCT
iajs-627	8	2	the	the	DET
iajs-627	8	3	results	result	NOUN
iajs-627	8	4	show	show	VERB
iajs-627	8	5	that	that	SCONJ
iajs-627	8	6	the	the	DET
iajs-627	8	7	hydration	hydration	NOUN
iajs-627	8	8	shell	shell	VERB
iajs-627	8	9	around	around	ADP
iajs-627	8	10	n	n	CCONJ
iajs-627	8	11	-	-	PUNCT
iajs-627	8	12	h	h	NOUN
iajs-627	8	13	site	site	NOUN
iajs-627	8	14	at	at	ADP
iajs-627	8	15	5a0	5a0	NUM
iajs-627	8	16	decade	decade	NOUN
iajs-627	8	17	with	with	ADP
iajs-627	8	18	the	the	DET
iajs-627	8	19	increase	increase	NOUN
iajs-627	8	20	of	of	ADP
iajs-627	8	21	temperature	temperature	NOUN
iajs-627	8	22	and	and	CCONJ
iajs-627	8	23	reformed	reform	VERB
iajs-627	8	24	at	at	ADP
iajs-627	8	25	10a0	10a0	NUM
iajs-627	8	26	,	,	PUNCT
iajs-627	8	27	so	so	ADV
iajs-627	8	28	n	n	PRON
iajs-627	8	29	site	site	NOUN
iajs-627	8	30	has	have	VERB
iajs-627	8	31	two	two	NUM
iajs-627	8	32	conserved	conserved	ADJ
iajs-627	8	33	hydration	hydration	NOUN
iajs-627	8	34	shells	shell	NOUN
iajs-627	8	35	at	at	ADP
iajs-627	8	36	approximate	approximate	ADJ
iajs-627	8	37	4	4	NUM
iajs-627	8	38	and	and	CCONJ
iajs-627	8	39	6a0	6a0	NUM
iajs-627	8	40	respectively	respectively	ADV
iajs-627	8	41	these	these	PRON
iajs-627	8	42	are	be	AUX
iajs-627	8	43	stable	stable	ADJ
iajs-627	8	44	in	in	ADP
iajs-627	8	45	this	this	DET
iajs-627	8	46	temperature	temperature	NOUN
iajs-627	8	47	range	range	NOUN
iajs-627	8	48	but	but	CCONJ
iajs-627	8	49	the	the	DET
iajs-627	8	50	order	order	NOUN
iajs-627	8	51	and	and	CCONJ
iajs-627	8	52	number	number	NOUN
iajs-627	8	53	of	of	ADP
iajs-627	8	54	water	water	NOUN
iajs-627	8	55	molecules	molecule	NOUN
iajs-627	8	56	are	be	AUX
iajs-627	8	57	varying	vary	VERB
iajs-627	8	58	with	with	ADP
iajs-627	8	59	temperature	temperature	NOUN
iajs-627	8	60	specially	specially	ADV
iajs-627	8	61	the	the	DET
iajs-627	8	62	hydration	hydration	NOUN
iajs-627	8	63	shell	shell	NOUN
iajs-627	8	64	at	at	ADP
iajs-627	8	65	4a0	4a0	NUM
iajs-627	8	66	.	.	PUNCT
iajs-627	9	1	key	key	ADJ
iajs-627	9	2	words	word	NOUN
iajs-627	9	3	:	:	PUNCT
iajs-627	9	4	imidazole	imidazole	NOUN
iajs-627	9	5	,	,	PUNCT
iajs-627	9	6	molecular	molecular	ADJ
iajs-627	9	7	dynamics	dynamic	NOUN
iajs-627	9	8	,	,	PUNCT
iajs-627	9	9	interaction	interaction	NOUN
iajs-627	9	10	simulation	simulation	NOUN
iajs-627	9	11	.	.	PUNCT
iajs-627	10	1	introduction	introduction	NOUN
iajs-627	10	2	imidazole	imidazole	NOUN
iajs-627	10	3	is	be	AUX
iajs-627	10	4	considered	consider	VERB
iajs-627	10	5	one	one	NUM
iajs-627	10	6	of	of	ADP
iajs-627	10	7	the	the	DET
iajs-627	10	8	raising	raise	VERB
iajs-627	10	9	interesting	interesting	ADJ
iajs-627	10	10	species	specie	NOUN
iajs-627	10	11	as	as	ADP
iajs-627	10	12	a	a	DET
iajs-627	10	13	molecule	molecule	NOUN
iajs-627	10	14	or	or	CCONJ
iajs-627	10	15	moiety	moiety	NOUN
iajs-627	10	16	as	as	ADV
iajs-627	10	17	well	well	ADV
iajs-627	10	18	it	it	PRON
iajs-627	10	19	has	have	AUX
iajs-627	10	20	drawn	draw	VERB
iajs-627	10	21	a	a	DET
iajs-627	10	22	remarkable	remarkable	ADJ
iajs-627	10	23	attention	attention	NOUN
iajs-627	10	24	for	for	ADP
iajs-627	10	25	long	long	ADJ
iajs-627	10	26	time	time	NOUN
iajs-627	10	27	in	in	ADP
iajs-627	10	28	bio	bio	NOUN
iajs-627	10	29	-	-	NOUN
iajs-627	10	30	chemistry	chemistry	NOUN
iajs-627	10	31	by	by	ADP
iajs-627	10	32	being	be	AUX
iajs-627	10	33	as	as	ADP
iajs-627	10	34	a	a	DET
iajs-627	10	35	part	part	NOUN
iajs-627	10	36	of	of	ADP
iajs-627	10	37	amino	amino	NOUN
iajs-627	10	38	acid	acid	NOUN
iajs-627	10	39	histidine	histidine	NOUN
iajs-627	10	40	that	that	PRON
iajs-627	10	41	plays	play	VERB
iajs-627	10	42	an	an	DET
iajs-627	10	43	important	important	ADJ
iajs-627	10	44	role	role	NOUN
iajs-627	10	45	as	as	ADP
iajs-627	10	46	building	build	VERB
iajs-627	10	47	block	block	NOUN
iajs-627	10	48	of	of	ADP
iajs-627	10	49	active	active	ADJ
iajs-627	10	50	site	site	NOUN
iajs-627	10	51	geometry	geometry	NOUN
iajs-627	10	52	of	of	ADP
iajs-627	10	53	many	many	ADJ
iajs-627	10	54	enzymes	enzyme	NOUN
iajs-627	10	55	and	and	CCONJ
iajs-627	10	56	its	its	PRON
iajs-627	10	57	main	main	ADJ
iajs-627	10	58	job	job	NOUN
iajs-627	10	59	is	be	AUX
iajs-627	10	60	transferring	transfer	VERB
iajs-627	10	61	of	of	ADP
iajs-627	10	62	proton	proton	NOUN
iajs-627	10	63	between	between	ADP
iajs-627	10	64	reacted	react	VERB
iajs-627	10	65	species	specie	NOUN
iajs-627	10	66	during	during	ADP
iajs-627	10	67	enzymatic	enzymatic	ADJ
iajs-627	10	68	reaction	reaction	NOUN
iajs-627	10	69	[	[	X
iajs-627	10	70	1	1	NUM
iajs-627	10	71	,	,	PUNCT
iajs-627	10	72	2	2	NUM
iajs-627	10	73	]	]	PUNCT
iajs-627	10	74	.	.	PUNCT
iajs-627	11	1	also	also	ADV
iajs-627	11	2	the	the	DET
iajs-627	11	3	imidazole	imidazole	NOUN
iajs-627	11	4	moiety	moiety	NOUN
iajs-627	11	5	exist	exist	VERB
iajs-627	11	6	in	in	ADP
iajs-627	11	7	histamine	histamine	NOUN
iajs-627	11	8	that	that	PRON
iajs-627	11	9	is	be	AUX
iajs-627	11	10	derived	derive	VERB
iajs-627	11	11	from	from	ADP
iajs-627	11	12	histidine	histidine	NOUN
iajs-627	11	13	,	,	PUNCT
iajs-627	11	14	histamine	histamine	NOUN
iajs-627	11	15	is	be	AUX
iajs-627	11	16	the	the	DET
iajs-627	11	17	compound	compound	NOUN
iajs-627	11	18	that	that	PRON
iajs-627	11	19	causes	cause	VERB
iajs-627	11	20	the	the	DET
iajs-627	11	21	allergic	allergic	ADJ
iajs-627	11	22	response	response	NOUN
iajs-627	11	23	in	in	ADP
iajs-627	11	24	the	the	DET
iajs-627	11	25	living	live	VERB
iajs-627	11	26	organisms	organism	NOUN
iajs-627	11	27	[	[	X
iajs-627	11	28	3	3	NUM
iajs-627	11	29	]	]	PUNCT
iajs-627	11	30	.	.	PUNCT
iajs-627	12	1	in	in	ADP
iajs-627	12	2	modern	modern	ADJ
iajs-627	12	3	chemistry	chemistry	NOUN
iajs-627	12	4	,	,	PUNCT
iajs-627	12	5	this	this	DET
iajs-627	12	6	property	property	NOUN
iajs-627	12	7	gives	give	VERB
iajs-627	12	8	to	to	PART
iajs-627	12	9	imidazole	imidazole	VERB
iajs-627	12	10	great	great	ADJ
iajs-627	12	11	importance	importance	NOUN
iajs-627	12	12	in	in	ADP
iajs-627	12	13	designing	design	VERB
iajs-627	12	14	molecular	molecular	ADJ
iajs-627	12	15	relays	relay	NOUN
iajs-627	12	16	[	[	X
iajs-627	12	17	4	4	NUM
iajs-627	12	18	]	]	PUNCT
iajs-627	12	19	,	,	PUNCT
iajs-627	12	20	switches	switch	VERB
iajs-627	12	21	[	[	X
iajs-627	12	22	5	5	NUM
iajs-627	12	23	]	]	PUNCT
iajs-627	12	24	and	and	CCONJ
iajs-627	12	25	hybrid	hybrid	ADJ
iajs-627	12	26	nano	nano	NOUN
iajs-627	12	27	-	-	PUNCT
iajs-627	12	28	devices	device	NOUN
iajs-627	12	29	with	with	ADP
iajs-627	12	30	cellular	cellular	ADJ
iajs-627	12	31	systems	system	NOUN
iajs-627	13	1	[	[	X
iajs-627	13	2	6	6	NUM
iajs-627	13	3	]	]	PUNCT
iajs-627	13	4	.	.	PUNCT
iajs-627	14	1	molecular	molecular	ADJ
iajs-627	14	2	dynamic	dynamic	ADJ
iajs-627	14	3	(	(	PUNCT
iajs-627	14	4	md	md	PROPN
iajs-627	14	5	)	)	PUNCT
iajs-627	14	6	simulations	simulation	NOUN
iajs-627	14	7	considered	consider	VERB
iajs-627	14	8	a	a	DET
iajs-627	14	9	powerful	powerful	ADJ
iajs-627	14	10	tool	tool	NOUN
iajs-627	14	11	to	to	PART
iajs-627	14	12	elucidate	elucidate	VERB
iajs-627	14	13	the	the	DET
iajs-627	14	14	molecular	molecular	ADJ
iajs-627	14	15	behavior	behavior	NOUN
iajs-627	14	16	at	at	ADP
iajs-627	14	17	microscopic	microscopic	ADJ
iajs-627	14	18	level	level	NOUN
iajs-627	14	19	and	and	CCONJ
iajs-627	14	20	means	mean	VERB
iajs-627	14	21	used	use	VERB
iajs-627	14	22	to	to	PART
iajs-627	14	23	connect	connect	VERB
iajs-627	14	24	it	it	PRON
iajs-627	14	25	with	with	ADP
iajs-627	14	26	macroscopic	macroscopic	ADJ
iajs-627	14	27	description	description	NOUN
iajs-627	14	28	[	[	X
iajs-627	14	29	7	7	NUM
iajs-627	14	30	]	]	PUNCT
iajs-627	14	31	.	.	PUNCT
iajs-627	15	1	so	so	ADV
iajs-627	15	2	the	the	DET
iajs-627	15	3	aim	aim	NOUN
iajs-627	15	4	of	of	ADP
iajs-627	15	5	this	this	DET
iajs-627	15	6	study	study	NOUN
iajs-627	15	7	is	be	AUX
iajs-627	15	8	to	to	PART
iajs-627	15	9	get	get	VERB
iajs-627	15	10	a	a	DET
iajs-627	15	11	picture	picture	NOUN
iajs-627	15	12	on	on	ADP
iajs-627	15	13	the	the	DET
iajs-627	15	14	molecular	molecular	ADJ
iajs-627	15	15	interaction	interaction	NOUN
iajs-627	15	16	that	that	PRON
iajs-627	15	17	exists	exist	VERB
iajs-627	15	18	between	between	ADP
iajs-627	15	19	solvated	solvate	VERB
iajs-627	15	20	imidazole	imidazole	NOUN
iajs-627	15	21	molecules	molecule	NOUN
iajs-627	15	22	with	with	ADP
iajs-627	15	23	its	its	PRON
iajs-627	15	24	environment	environment	NOUN
iajs-627	15	25	of	of	ADP
iajs-627	15	26	solvent	solvent	ADJ
iajs-627	15	27	water	water	NOUN
iajs-627	15	28	molecules	molecule	NOUN
iajs-627	15	29	and	and	CCONJ
iajs-627	15	30	prepares	prepare	VERB
iajs-627	15	31	a	a	DET
iajs-627	15	32	basis	basis	NOUN
iajs-627	15	33	by	by	ADP
iajs-627	15	34	which	which	PRON
iajs-627	15	35	we	we	PRON
iajs-627	15	36	can	can	AUX
iajs-627	15	37	connect	connect	VERB
iajs-627	15	38	with	with	ADP
iajs-627	15	39	practical	practical	ADJ
iajs-627	15	40	experimental	experimental	ADJ
iajs-627	15	41	data	datum	NOUN
iajs-627	15	42	.	.	PUNCT
iajs-627	16	1	method	method	NOUN
iajs-627	16	2	and	and	CCONJ
iajs-627	16	3	calculations	calculation	NOUN
iajs-627	16	4	the	the	DET
iajs-627	16	5	semi	semi	ADJ
iajs-627	16	6	-	-	ADJ
iajs-627	16	7	empirical	empirical	ADJ
iajs-627	16	8	geometry	geometry	NOUN
iajs-627	16	9	optimization	optimization	NOUN
iajs-627	16	10	calculations	calculation	NOUN
iajs-627	16	11	and	and	CCONJ
iajs-627	16	12	mm	mm	PROPN
iajs-627	16	13	md	md	PROPN
iajs-627	16	14	(	(	PUNCT
iajs-627	16	15	classical	classical	ADJ
iajs-627	16	16	molecular	molecular	ADJ
iajs-627	16	17	mechanics	mechanic	NOUN
iajs-627	16	18	molecular	molecular	ADJ
iajs-627	16	19	dynamics	dynamic	NOUN
iajs-627	16	20	)	)	PUNCT
iajs-627	16	21	simulations	simulation	NOUN
iajs-627	16	22	were	be	AUX
iajs-627	16	23	carried	carry	VERB
iajs-627	16	24	out	out	ADP
iajs-627	16	25	using	use	VERB
iajs-627	16	26	programs	program	NOUN
iajs-627	16	27	included	include	VERB
iajs-627	16	28	in	in	ADP
iajs-627	16	29	hyperchem	hyperchem	ADJ
iajs-627	16	30	8.0.8	8.0.8	NUM
iajs-627	16	31	package	package	NOUN
iajs-627	16	32	,	,	PUNCT
iajs-627	16	33	the	the	DET
iajs-627	16	34	simulation	simulation	NOUN
iajs-627	16	35	calculations	calculation	NOUN
iajs-627	16	36	were	be	AUX
iajs-627	16	37	accomplished	accomplish	VERB
iajs-627	16	38	in	in	ADP
iajs-627	16	39	excel	excel	PROPN
iajs-627	16	40	(	(	PUNCT
iajs-627	16	41	2007	2007	NUM
iajs-627	16	42	)	)	PUNCT
iajs-627	16	43	program	program	NOUN
iajs-627	16	44	that	that	PRON
iajs-627	16	45	satisfied	satisfy	VERB
iajs-627	16	46	through	through	ADP
iajs-627	16	47	dynamic	dynamic	ADJ
iajs-627	16	48	data	datum	NOUN
iajs-627	16	49	exchange	exchange	NOUN
iajs-627	16	50	protocol	protocol	NOUN
iajs-627	16	51	between	between	ADP
iajs-627	16	52	hyperchem	hyperchem	NOUN
iajs-627	16	53	and	and	CCONJ
iajs-627	16	54	office	office	NOUN
iajs-627	16	55	programs	program	NOUN
iajs-627	16	56	.	.	PUNCT
iajs-627	17	1	all	all	DET
iajs-627	17	2	calculations	calculation	NOUN
iajs-627	17	3	were	be	AUX
iajs-627	17	4	done	do	VERB
iajs-627	17	5	with	with	ADP
iajs-627	17	6	personal	personal	ADJ
iajs-627	17	7	lap	lap	NOUN
iajs-627	17	8	top	top	NOUN
iajs-627	17	9	lg	lg	NOUN
iajs-627	17	10	with	with	ADP
iajs-627	17	11	processor	processor	NOUN
iajs-627	17	12	intel	intel	PROPN
iajs-627	17	13	®	®	NOUN
iajs-627	17	14	core	core	NOUN
iajs-627	17	15	™	™	ADJ
iajs-627	17	16	2	2	NUM
iajs-627	17	17	duo	duo	NOUN
iajs-627	17	18	cpu	cpu	NOUN
iajs-627	17	19	.	.	PUNCT
iajs-627	18	1	the	the	DET
iajs-627	18	2	geometry	geometry	NOUN
iajs-627	18	3	of	of	ADP
iajs-627	18	4	imidazole	imidazole	NOUN
iajs-627	18	5	molecule	molecule	NOUN
iajs-627	18	6	was	be	AUX
iajs-627	18	7	optimized	optimize	VERB
iajs-627	18	8	using	use	VERB
iajs-627	18	9	pm3	pm3	PROPN
iajs-627	18	10	(	(	PUNCT
iajs-627	18	11	parameterized	parameterized	ADJ
iajs-627	18	12	model	model	NOUN
iajs-627	18	13	number	number	NOUN
iajs-627	18	14	3	3	NUM
iajs-627	18	15	)	)	PUNCT
iajs-627	18	16	semi	semi	ADJ
iajs-627	18	17	-	-	ADJ
iajs-627	18	18	empirical	empirical	ADJ
iajs-627	18	19	method	method	NOUN
iajs-627	18	20	using	use	VERB
iajs-627	18	21	polak	polak	NOUN
iajs-627	18	22	-	-	PUNCT
iajs-627	18	23	rebeire	rebeire	NOUN
iajs-627	18	24	algorithm	algorithm	NOUN
iajs-627	18	25	,	,	PUNCT
iajs-627	18	26	the	the	DET
iajs-627	18	27	structural	structural	ADJ
iajs-627	18	28	data	datum	NOUN
iajs-627	18	29	including	include	VERB
iajs-627	18	30	bond	bond	NOUN
iajs-627	18	31	lengths	length	NOUN
iajs-627	18	32	,	,	PUNCT
iajs-627	18	33	bond	bond	NOUN
iajs-627	18	34	angles	angle	NOUN
iajs-627	18	35	,	,	PUNCT
iajs-627	18	36	charge	charge	NOUN
iajs-627	18	37	distribution	distribution	NOUN
iajs-627	18	38	and	and	CCONJ
iajs-627	18	39	atom	atom	NOUN
iajs-627	18	40	numbering	numbering	NOUN
iajs-627	18	41	are	be	AUX
iajs-627	18	42	given	give	VERB
iajs-627	18	43	in	in	ADP
iajs-627	18	44	table	table	NOUN
iajs-627	18	45	(	(	PUNCT
iajs-627	18	46	1	1	NUM
iajs-627	18	47	)	)	PUNCT
iajs-627	18	48	and	and	CCONJ
iajs-627	18	49	figure(1a,1b	figure(1a,1b	NOUN
iajs-627	18	50	)	)	PUNCT
iajs-627	18	51	.	.	PUNCT
iajs-627	19	1	the	the	DET
iajs-627	19	2	values	value	NOUN
iajs-627	19	3	of	of	ADP
iajs-627	19	4	independent	independent	ADJ
iajs-627	19	5	internal	internal	ADJ
iajs-627	19	6	coordinates	coordinate	NOUN
iajs-627	19	7	that	that	PRON
iajs-627	19	8	displayed	display	VERB
iajs-627	19	9	in	in	ADP
iajs-627	19	10	the	the	DET
iajs-627	19	11	above	above	ADJ
iajs-627	19	12	figures	figure	NOUN
iajs-627	19	13	and	and	CCONJ
iajs-627	19	14	table	table	NOUN
iajs-627	19	15	are	be	AUX
iajs-627	19	16	(	(	PUNCT
iajs-627	19	17	9	9	X
iajs-627	19	18	)	)	PUNCT
iajs-627	19	19	bond	bond	NOUN
iajs-627	19	20	lengths	length	NOUN
iajs-627	19	21	and	and	CCONJ
iajs-627	19	22	(	(	PUNCT
iajs-627	19	23	7	7	X
iajs-627	19	24	)	)	PUNCT
iajs-627	19	25	bond	bond	NOUN
iajs-627	19	26	angles	angle	VERB
iajs-627	19	27	the	the	DET
iajs-627	19	28	remaining	remain	VERB
iajs-627	19	29	(	(	PUNCT
iajs-627	19	30	5	5	NUM
iajs-627	19	31	)	)	PUNCT
iajs-627	19	32	coordinates	coordinate	NOUN
iajs-627	19	33	(	(	PUNCT
iajs-627	19	34	according	accord	VERB
iajs-627	19	35	to	to	ADP
iajs-627	19	36	the	the	DET
iajs-627	19	37	low	low	ADJ
iajs-627	19	38	3n-6	3n-6	PROPN
iajs-627	19	39	)	)	PUNCT
iajs-627	19	40	are	be	AUX
iajs-627	19	41	the	the	DET
iajs-627	19	42	dihedral	dihedral	ADJ
iajs-627	19	43	angles	angle	NOUN
iajs-627	20	1	262	262	NUM
iajs-627	20	2	مجلة	مجلة	ADJ
iajs-627	20	3	إبن	إبن	NOUN
iajs-627	20	4	الهيثم	الهيثم	ADJ
iajs-627	20	5	للعلوم	للعلوم	NOUN
iajs-627	20	6	الصرفة	الصرفة	NOUN
iajs-627	21	1	و	و	PRON
iajs-627	21	2	التطبيقية	التطبيقية	ADJ
iajs-627	21	3	2012	2012	NUM
iajs-627	21	4	السنة	السنة	NOUN
iajs-627	21	5	25	25	NUM
iajs-627	22	1	المجلد	المجلد	NOUN
iajs-627	23	1	1	1	NUM
iajs-627	24	1	العدد	العدد	PROPN
iajs-627	24	2	ibn	ibn	PROPN
iajs-627	24	3	al	al	PROPN
iajs-627	24	4	-	-	PUNCT
iajs-627	24	5	haitham	haitham	PROPN
iajs-627	24	6	journal	journal	PROPN
iajs-627	24	7	for	for	ADP
iajs-627	24	8	pure	pure	ADJ
iajs-627	24	9	and	and	CCONJ
iajs-627	24	10	applied	apply	VERB
iajs-627	24	11	science	science	NOUN
iajs-627	24	12	no	no	NOUN
iajs-627	24	13	.	.	NOUN
iajs-627	24	14	1	1	NUM
iajs-627	24	15	vol	vol	NOUN
iajs-627	24	16	.	.	PUNCT
iajs-627	25	1	25	25	NUM
iajs-627	25	2	year	year	NOUN
iajs-627	25	3	2012	2012	NUM
iajs-627	25	4	which	which	PRON
iajs-627	25	5	take	take	VERB
iajs-627	25	6	the	the	DET
iajs-627	25	7	(	(	PUNCT
iajs-627	25	8	0	0	NUM
iajs-627	25	9	)	)	PUNCT
iajs-627	25	10	value	value	NOUN
iajs-627	25	11	for	for	ADP
iajs-627	25	12	this	this	DET
iajs-627	25	13	planer	planer	NOUN
iajs-627	25	14	molecule	molecule	NOUN
iajs-627	25	15	at	at	ADP
iajs-627	25	16	its	its	PRON
iajs-627	25	17	ground	ground	NOUN
iajs-627	25	18	state	state	NOUN
iajs-627	25	19	.	.	PUNCT
iajs-627	26	1	in	in	ADP
iajs-627	26	2	addition	addition	NOUN
iajs-627	26	3	the	the	DET
iajs-627	26	4	charge	charge	NOUN
iajs-627	26	5	distribution	distribution	NOUN
iajs-627	26	6	upon	upon	SCONJ
iajs-627	26	7	the	the	DET
iajs-627	26	8	molecule	molecule	NOUN
iajs-627	26	9	is	be	AUX
iajs-627	26	10	shown	show	VERB
iajs-627	26	11	in	in	ADP
iajs-627	26	12	figure	figure	NOUN
iajs-627	26	13	(	(	PUNCT
iajs-627	26	14	2	2	NUM
iajs-627	26	15	)	)	PUNCT
iajs-627	26	16	.	.	PUNCT
iajs-627	27	1	imidazole	imidazole	NOUN
iajs-627	27	2	molecule	molecule	NOUN
iajs-627	27	3	and	and	CCONJ
iajs-627	27	4	212	212	NUM
iajs-627	27	5	water	water	NOUN
iajs-627	27	6	molecules	molecule	NOUN
iajs-627	27	7	with	with	ADP
iajs-627	27	8	periodic	periodic	ADJ
iajs-627	27	9	boundary	boundary	ADJ
iajs-627	27	10	conditions	condition	NOUN
iajs-627	27	11	represented	represent	VERB
iajs-627	27	12	by	by	ADP
iajs-627	27	13	cubic	cubic	PROPN
iajs-627	27	14	box	box	PROPN
iajs-627	27	15	with	with	ADP
iajs-627	27	16	length	length	NOUN
iajs-627	27	17	of	of	ADP
iajs-627	27	18	18.7a0	18.7a0	NUM
iajs-627	27	19	,	,	PUNCT
iajs-627	27	20	dielectric	dielectric	NOUN
iajs-627	27	21	of	of	ADP
iajs-627	27	22	the	the	DET
iajs-627	27	23	media	medium	NOUN
iajs-627	27	24	was	be	AUX
iajs-627	27	25	kept	keep	VERB
iajs-627	27	26	constant	constant	ADJ
iajs-627	27	27	and	and	CCONJ
iajs-627	27	28	inner	inner	ADJ
iajs-627	27	29	and	and	CCONJ
iajs-627	27	30	outer	outer	ADJ
iajs-627	27	31	radius	radius	NOUN
iajs-627	27	32	cutoff	cutoff	NOUN
iajs-627	27	33	were	be	AUX
iajs-627	27	34	5.35	5.35	NUM
iajs-627	27	35	and	and	CCONJ
iajs-627	27	36	9.35	9.35	NUM
iajs-627	27	37	a0	a0	NOUN
iajs-627	27	38	respectively	respectively	ADV
iajs-627	27	39	,	,	PUNCT
iajs-627	27	40	we	we	PRON
iajs-627	27	41	use	use	VERB
iajs-627	27	42	standard	standard	ADJ
iajs-627	27	43	opls	opls	NOUN
iajs-627	27	44	(	(	PUNCT
iajs-627	27	45	optimized	optimize	VERB
iajs-627	27	46	potentials	potential	NOUN
iajs-627	27	47	for	for	ADP
iajs-627	27	48	liquid	liquid	ADJ
iajs-627	27	49	simulations	simulation	NOUN
iajs-627	27	50	)	)	PUNCT
iajs-627	27	51	force	force	NOUN
iajs-627	27	52	field	field	NOUN
iajs-627	27	53	method	method	NOUN
iajs-627	27	54	for	for	ADP
iajs-627	27	55	simulation	simulation	NOUN
iajs-627	27	56	three	three	NUM
iajs-627	27	57	temperatures	temperature	NOUN
iajs-627	27	58	were	be	AUX
iajs-627	27	59	taken	take	VERB
iajs-627	27	60	(	(	PUNCT
iajs-627	27	61	298.15	298.15	NUM
iajs-627	27	62	,	,	PUNCT
iajs-627	27	63	303.15	303.15	NUM
iajs-627	27	64	and	and	CCONJ
iajs-627	27	65	308.15	308.15	NUM
iajs-627	27	66	k	k	NOUN
iajs-627	27	67	)	)	PUNCT
iajs-627	27	68	.	.	PUNCT
iajs-627	28	1	the	the	DET
iajs-627	28	2	tip3p	tip3p	PROPN
iajs-627	28	3	model	model	NOUN
iajs-627	28	4	(	(	PUNCT
iajs-627	28	5	transferable	transferable	ADJ
iajs-627	28	6	intermolecular	intermolecular	ADJ
iajs-627	28	7	potentials	potential	NOUN
iajs-627	28	8	3	3	NUM
iajs-627	28	9	point	point	NOUN
iajs-627	28	10	charge	charge	NOUN
iajs-627	28	11	water	water	NOUN
iajs-627	28	12	model	model	NOUN
iajs-627	28	13	)	)	PUNCT
iajs-627	28	14	was	be	AUX
iajs-627	28	15	adopted	adopt	VERB
iajs-627	28	16	for	for	ADP
iajs-627	28	17	water	water	NOUN
iajs-627	28	18	–	–	PUNCT
iajs-627	28	19	water	water	NOUN
iajs-627	28	20	interactions	interaction	NOUN
iajs-627	28	21	.	.	PUNCT
iajs-627	29	1	this	this	PRON
iajs-627	29	2	is	be	AUX
iajs-627	29	3	a	a	DET
iajs-627	29	4	three	three	NUM
iajs-627	29	5	-	-	PUNCT
iajs-627	29	6	site	site	NOUN
iajs-627	29	7	water	water	NOUN
iajs-627	29	8	model	model	NOUN
iajs-627	29	9	which	which	PRON
iajs-627	29	10	has	have	AUX
iajs-627	29	11	been	be	AUX
iajs-627	29	12	widely	widely	ADV
iajs-627	29	13	used	use	VERB
iajs-627	29	14	for	for	ADP
iajs-627	29	15	pure	pure	ADJ
iajs-627	29	16	water	water	NOUN
iajs-627	29	17	as	as	ADV
iajs-627	29	18	well	well	ADV
iajs-627	29	19	as	as	ADP
iajs-627	29	20	for	for	ADP
iajs-627	29	21	aqueous	aqueous	ADJ
iajs-627	29	22	ionic	ionic	ADJ
iajs-627	29	23	and	and	CCONJ
iajs-627	29	24	non	non	ADJ
iajs-627	29	25	-	-	ADJ
iajs-627	29	26	ionic	ionic	ADJ
iajs-627	29	27	solutions	solution	NOUN
iajs-627	29	28	.	.	PUNCT
iajs-627	30	1	to	to	PART
iajs-627	30	2	carry	carry	VERB
iajs-627	30	3	out	out	ADP
iajs-627	30	4	the	the	DET
iajs-627	30	5	simulations	simulation	NOUN
iajs-627	30	6	,	,	PUNCT
iajs-627	30	7	we	we	PRON
iajs-627	30	8	employed	employ	VERB
iajs-627	30	9	a	a	DET
iajs-627	30	10	time	time	NOUN
iajs-627	30	11	step	step	NOUN
iajs-627	30	12	of	of	ADP
iajs-627	30	13	0.0001	0.0001	NUM
iajs-627	30	14	ps	ps	NOUN
iajs-627	30	15	and	and	CCONJ
iajs-627	30	16	a	a	DET
iajs-627	30	17	thermal	thermal	ADJ
iajs-627	30	18	bath	bath	NOUN
iajs-627	30	19	coupling	couple	VERB
iajs-627	30	20	parameter	parameter	NOUN
iajs-627	30	21	of	of	ADP
iajs-627	30	22	1ps	1ps	ADJ
iajs-627	30	23	.	.	PUNCT
iajs-627	31	1	an	an	DET
iajs-627	31	2	auxiliary	auxiliary	ADJ
iajs-627	31	3	simulation	simulation	NOUN
iajs-627	31	4	of	of	ADP
iajs-627	31	5	pure	pure	ADJ
iajs-627	31	6	water	water	NOUN
iajs-627	31	7	under	under	ADP
iajs-627	31	8	identical	identical	ADJ
iajs-627	31	9	conditions	condition	NOUN
iajs-627	31	10	was	be	AUX
iajs-627	31	11	also	also	ADV
iajs-627	31	12	carried	carry	VERB
iajs-627	31	13	out	out	ADP
iajs-627	31	14	.	.	PUNCT
iajs-627	32	1	in	in	ADP
iajs-627	32	2	this	this	DET
iajs-627	32	3	case	case	NOUN
iajs-627	32	4	,	,	PUNCT
iajs-627	32	5	the	the	DET
iajs-627	32	6	simulation	simulation	NOUN
iajs-627	32	7	length	length	NOUN
iajs-627	32	8	was	be	AUX
iajs-627	32	9	5	5	NUM
iajs-627	32	10	ps	ps	NOUN
iajs-627	32	11	.	.	NOUN
iajs-627	32	12	results	result	NOUN
iajs-627	32	13	and	and	CCONJ
iajs-627	32	14	discussion	discussion	NOUN
iajs-627	32	15	at	at	ADP
iajs-627	32	16	it	it	PRON
iajs-627	32	17	must	must	AUX
iajs-627	32	18	pay	pay	VERB
iajs-627	32	19	the	the	DET
iajs-627	32	20	attention	attention	NOUN
iajs-627	32	21	to	to	ADP
iajs-627	32	22	the	the	DET
iajs-627	32	23	simulation	simulation	NOUN
iajs-627	32	24	in	in	ADP
iajs-627	32	25	this	this	DET
iajs-627	32	26	study	study	NOUN
iajs-627	32	27	is	be	AUX
iajs-627	32	28	carried	carry	VERB
iajs-627	32	29	out	out	ADP
iajs-627	32	30	under	under	ADP
iajs-627	32	31	classical	classical	ADJ
iajs-627	32	32	conditions	condition	NOUN
iajs-627	32	33	where	where	SCONJ
iajs-627	32	34	we	we	PRON
iajs-627	32	35	ignored	ignore	VERB
iajs-627	32	36	quantum	quantum	ADJ
iajs-627	32	37	effects	effect	NOUN
iajs-627	32	38	such	such	ADJ
iajs-627	32	39	as	as	ADP
iajs-627	32	40	ionization	ionization	NOUN
iajs-627	32	41	,	,	PUNCT
iajs-627	32	42	bond	bond	NOUN
iajs-627	32	43	breaking	breaking	NOUN
iajs-627	32	44	or	or	CCONJ
iajs-627	32	45	formation	formation	NOUN
iajs-627	32	46	as	as	ADP
iajs-627	32	47	initial	initial	ADJ
iajs-627	32	48	approximation	approximation	NOUN
iajs-627	32	49	.	.	PUNCT
iajs-627	33	1	to	to	PART
iajs-627	33	2	connect	connect	VERB
iajs-627	33	3	between	between	ADP
iajs-627	33	4	the	the	DET
iajs-627	33	5	macroscopic	macroscopic	ADJ
iajs-627	33	6	isothermal	isothermal	NOUN
iajs-627	33	7	and	and	CCONJ
iajs-627	33	8	its	its	PRON
iajs-627	33	9	equivalence	equivalence	NOUN
iajs-627	33	10	on	on	ADP
iajs-627	33	11	the	the	DET
iajs-627	33	12	microscopic	microscopic	ADJ
iajs-627	33	13	level	level	NOUN
iajs-627	33	14	,	,	PUNCT
iajs-627	33	15	the	the	DET
iajs-627	33	16	microscopic	microscopic	ADJ
iajs-627	33	17	temperature	temperature	NOUN
iajs-627	33	18	that	that	PRON
iajs-627	33	19	calculated	calculate	VERB
iajs-627	33	20	from	from	ADP
iajs-627	33	21	equation	equation	NOUN
iajs-627	33	22	[	[	X
iajs-627	33	23	8	8	NUM
iajs-627	33	24	]	]	SYM
iajs-627	33	25	:	:	PUNCT
iajs-627	33	26	t(t	t(t	NOUN
iajs-627	33	27	)	)	PUNCT
iajs-627	33	28	=	=	SYM
iajs-627	34	1	…	…	PUNCT
iajs-627	34	2	…	…	PUNCT
iajs-627	34	3	…	…	PUNCT
iajs-627	34	4	…	…	PUNCT
iajs-627	34	5	…	…	PUNCT
iajs-627	34	6	…	…	PUNCT
iajs-627	34	7	…	…	PUNCT
iajs-627	34	8	…	…	PUNCT
iajs-627	34	9	…	…	PUNCT
iajs-627	34	10	…	…	PUNCT
iajs-627	34	11	…	…	PUNCT
iajs-627	34	12	…	…	PUNCT
iajs-627	34	13	…	…	PUNCT
iajs-627	34	14	…	…	PUNCT
iajs-627	34	15	…	…	PUNCT
iajs-627	34	16	…	…	PUNCT
iajs-627	34	17	…	…	PUNCT
iajs-627	34	18	..	..	PUNCT
iajs-627	34	19	(	(	PUNCT
iajs-627	34	20	1	1	X
iajs-627	34	21	)	)	PUNCT
iajs-627	34	22	where	where	SCONJ
iajs-627	34	23	t	t	NOUN
iajs-627	34	24	:	:	PUNCT
iajs-627	34	25	temperature	temperature	NOUN
iajs-627	34	26	(	(	PUNCT
iajs-627	34	27	k	k	NOUN
iajs-627	34	28	)	)	PUNCT
iajs-627	34	29	t	t	PROPN
iajs-627	34	30	:	:	PUNCT
iajs-627	34	31	time	time	NOUN
iajs-627	34	32	in	in	ADP
iajs-627	34	33	pico	pico	NOUN
iajs-627	34	34	second	second	ADJ
iajs-627	34	35	(	(	PUNCT
iajs-627	34	36	ps	ps	NOUN
iajs-627	34	37	)	)	PUNCT
iajs-627	34	38	n	n	CCONJ
iajs-627	34	39	:	:	PUNCT
iajs-627	34	40	number	number	NOUN
iajs-627	34	41	of	of	ADP
iajs-627	34	42	atoms	atom	NOUN
iajs-627	34	43	n	n	CCONJ
iajs-627	34	44	:	:	PUNCT
iajs-627	34	45	number	number	NOUN
iajs-627	34	46	of	of	ADP
iajs-627	34	47	constrained	constrained	ADJ
iajs-627	34	48	degrees	degree	NOUN
iajs-627	34	49	of	of	ADP
iajs-627	34	50	freedom	freedom	NOUN
iajs-627	34	51	p	p	X
iajs-627	34	52	:	:	PUNCT
iajs-627	34	53	linear	linear	ADJ
iajs-627	34	54	momentum	momentum	NOUN
iajs-627	34	55	(	(	PUNCT
iajs-627	34	56	g.a0.ps-1	g.a0.ps-1	NOUN
iajs-627	34	57	)	)	PUNCT
iajs-627	34	58	q	q	NOUN
iajs-627	34	59	:	:	PUNCT
iajs-627	34	60	generalized	generalized	ADJ
iajs-627	34	61	coordinate	coordinate	NOUN
iajs-627	34	62	in	in	ADP
iajs-627	34	63	angstrom	angstrom	PROPN
iajs-627	34	64	(	(	PUNCT
iajs-627	34	65	a0	a0	PROPN
iajs-627	34	66	)	)	PUNCT
iajs-627	34	67	m	m	PROPN
iajs-627	34	68	:	:	PUNCT
iajs-627	34	69	atom	atom	NOUN
iajs-627	34	70	mass	mass	NOUN
iajs-627	34	71	(	(	PUNCT
iajs-627	34	72	g	g	NOUN
iajs-627	34	73	)	)	PUNCT
iajs-627	34	74	(	(	PUNCT
iajs-627	34	75	gram	gram	NOUN
iajs-627	34	76	)	)	PUNCT
iajs-627	34	77	this	this	PRON
iajs-627	34	78	relates	relate	VERB
iajs-627	34	79	to	to	PART
iajs-627	34	80	average	average	ADJ
iajs-627	34	81	kinetic	kinetic	ADJ
iajs-627	34	82	energy	energy	NOUN
iajs-627	34	83	of	of	ADP
iajs-627	34	84	the	the	DET
iajs-627	34	85	system	system	NOUN
iajs-627	34	86	that	that	PRON
iajs-627	34	87	settled	settle	VERB
iajs-627	34	88	after	after	ADP
iajs-627	34	89	each	each	DET
iajs-627	34	90	time	time	NOUN
iajs-627	34	91	step	step	NOUN
iajs-627	34	92	from	from	ADP
iajs-627	34	93	previous	previous	ADJ
iajs-627	34	94	time	time	NOUN
iajs-627	34	95	trajectory	trajectory	NOUN
iajs-627	34	96	by	by	ADP
iajs-627	34	97	the	the	DET
iajs-627	34	98	equation	equation	NOUN
iajs-627	34	99	:	:	PUNCT
iajs-627	34	100	q(t+∆t	q(t+∆t	NUM
iajs-627	34	101	)	)	PUNCT
iajs-627	35	1	=	=	SYM
iajs-627	35	2	q(t	q(t	ADJ
iajs-627	35	3	)	)	PUNCT
iajs-627	35	4	+	+	NUM
iajs-627	35	5	∆t	∆t	PROPN
iajs-627	35	6	…	…	PUNCT
iajs-627	35	7	…	…	PUNCT
iajs-627	35	8	…	…	PUNCT
iajs-627	35	9	…	…	PUNCT
iajs-627	35	10	…	…	PUNCT
iajs-627	35	11	…	…	PUNCT
iajs-627	35	12	…	…	PUNCT
iajs-627	35	13	…	…	PUNCT
iajs-627	35	14	…	…	PUNCT
iajs-627	35	15	…	…	PUNCT
iajs-627	35	16	…	…	PUNCT
iajs-627	35	17	…	…	PUNCT
iajs-627	35	18	…	…	PUNCT
iajs-627	35	19	…	…	PUNCT
iajs-627	35	20	…	…	PUNCT
iajs-627	35	21	…	…	PUNCT
iajs-627	35	22	…	…	PUNCT
iajs-627	35	23	…	…	PUNCT
iajs-627	35	24	…	…	PUNCT
iajs-627	35	25	…	…	PUNCT
iajs-627	35	26	.(2	.(2	SYM
iajs-627	35	27	)	)	PUNCT
iajs-627	36	1	p	p	X
iajs-627	36	2	(	(	PUNCT
iajs-627	36	3	t+∆t	t+∆t	PROPN
iajs-627	36	4	)	)	PUNCT
iajs-627	37	1	=	=	NOUN
iajs-627	37	2	p	p	X
iajs-627	37	3	(	(	PUNCT
iajs-627	37	4	t	t	PROPN
iajs-627	37	5	)	)	PUNCT
iajs-627	38	1	+	+	VERB
iajs-627	38	2	m	m	VERB
iajs-627	38	3	a	a	DET
iajs-627	38	4	(	(	PUNCT
iajs-627	38	5	t	t	NOUN
iajs-627	38	6	)	)	PUNCT
iajs-627	38	7	∆t	∆t	NOUN
iajs-627	38	8	……	……	NOUN
iajs-627	38	9	……	……	NOUN
iajs-627	38	10	……	……	NOUN
iajs-627	38	11	……	……	NOUN
iajs-627	38	12	……	……	NOUN
iajs-627	38	13	……	……	NOUN
iajs-627	38	14	……	……	NOUN
iajs-627	38	15	..	..	PUNCT
iajs-627	38	16	……	……	NOUN
iajs-627	38	17	……	……	NOUN
iajs-627	38	18	(	(	PUNCT
iajs-627	38	19	3	3	NUM
iajs-627	38	20	)	)	PUNCT
iajs-627	38	21	(	(	PUNCT
iajs-627	38	22	a	a	X
iajs-627	38	23	)	)	PUNCT
iajs-627	38	24	linear	linear	ADJ
iajs-627	38	25	acceleration	acceleration	NOUN
iajs-627	38	26	in	in	ADP
iajs-627	38	27	a0.ps-2	a0.ps-2	PROPN
iajs-627	38	28	the	the	DET
iajs-627	38	29	temperature	temperature	NOUN
iajs-627	38	30	histogram	histogram	NOUN
iajs-627	38	31	over	over	ADP
iajs-627	38	32	the	the	DET
iajs-627	38	33	simulation	simulation	NOUN
iajs-627	38	34	period	period	NOUN
iajs-627	38	35	time	time	NOUN
iajs-627	38	36	shows	show	VERB
iajs-627	38	37	that	that	SCONJ
iajs-627	38	38	the	the	DET
iajs-627	38	39	system	system	NOUN
iajs-627	38	40	has	have	AUX
iajs-627	38	41	reached	reach	VERB
iajs-627	38	42	equilibrium	equilibrium	NOUN
iajs-627	38	43	at	at	ADP
iajs-627	38	44	the	the	DET
iajs-627	38	45	simulation	simulation	NOUN
iajs-627	38	46	temperatures	temperature	NOUN
iajs-627	38	47	as	as	SCONJ
iajs-627	38	48	shown	show	VERB
iajs-627	38	49	in	in	ADP
iajs-627	38	50	figures	figure	NOUN
iajs-627	38	51	(	(	PUNCT
iajs-627	38	52	3	3	NUM
iajs-627	38	53	,	,	PUNCT
iajs-627	38	54	4	4	NUM
iajs-627	38	55	and	and	CCONJ
iajs-627	38	56	5	5	NUM
iajs-627	38	57	)	)	PUNCT
iajs-627	38	58	.	.	PUNCT
iajs-627	39	1	also	also	ADV
iajs-627	39	2	the	the	DET
iajs-627	39	3	average	average	NOUN
iajs-627	39	4	of	of	ADP
iajs-627	39	5	temperature	temperature	NOUN
iajs-627	39	6	was	be	AUX
iajs-627	39	7	reported	report	VERB
iajs-627	39	8	in	in	ADP
iajs-627	39	9	table	table	NOUN
iajs-627	39	10	(	(	PUNCT
iajs-627	39	11	2	2	NUM
iajs-627	39	12	)	)	PUNCT
iajs-627	39	13	.	.	PUNCT
iajs-627	40	1	the	the	DET
iajs-627	40	2	difference	difference	NOUN
iajs-627	40	3	between	between	ADP
iajs-627	40	4	the	the	DET
iajs-627	40	5	values	value	NOUN
iajs-627	40	6	of	of	ADP
iajs-627	40	7	simulation	simulation	NOUN
iajs-627	40	8	temperatures	temperature	NOUN
iajs-627	40	9	and	and	CCONJ
iajs-627	40	10	their	their	PRON
iajs-627	40	11	average	average	NOUN
iajs-627	40	12	is	be	AUX
iajs-627	40	13	due	due	ADJ
iajs-627	40	14	to	to	ADP
iajs-627	40	15	dynamic	dynamic	ADJ
iajs-627	40	16	nature	nature	NOUN
iajs-627	40	17	of	of	ADP
iajs-627	40	18	the	the	DET
iajs-627	40	19	kinetic	kinetic	ADJ
iajs-627	40	20	energy	energy	NOUN
iajs-627	40	21	transfer	transfer	NOUN
iajs-627	40	22	during	during	ADP
iajs-627	40	23	random	random	ADJ
iajs-627	40	24	motion	motion	NOUN
iajs-627	40	25	of	of	ADP
iajs-627	40	26	the	the	DET
iajs-627	40	27	molecules	molecule	NOUN
iajs-627	40	28	,	,	PUNCT
iajs-627	40	29	this	this	DET
iajs-627	40	30	deviation	deviation	NOUN
iajs-627	40	31	will	will	AUX
iajs-627	40	32	de	de	VERB
iajs-627	40	33	remarkable	remarkable	ADJ
iajs-627	40	34	at	at	ADP
iajs-627	40	35	the	the	DET
iajs-627	40	36	microscopic	microscopic	ADJ
iajs-627	40	37	level	level	NOUN
iajs-627	40	38	.	.	PUNCT
iajs-627	41	1	analysis	analysis	NOUN
iajs-627	41	2	of	of	ADP
iajs-627	41	3	solution	solution	NOUN
iajs-627	41	4	structure	structure	NOUN
iajs-627	41	5	the	the	DET
iajs-627	41	6	radial	radial	ADJ
iajs-627	41	7	distribution	distribution	NOUN
iajs-627	41	8	function	function	NOUN
iajs-627	41	9	measures	measure	NOUN
iajs-627	41	10	how	how	SCONJ
iajs-627	41	11	atoms	atom	NOUN
iajs-627	41	12	and	and	CCONJ
iajs-627	41	13	molecules	molecule	NOUN
iajs-627	41	14	organize	organize	VERB
iajs-627	41	15	around	around	ADP
iajs-627	41	16	each	each	DET
iajs-627	41	17	other	other	ADJ
iajs-627	41	18	,	,	PUNCT
iajs-627	41	19	it	it	PRON
iajs-627	41	20	provides	provide	VERB
iajs-627	41	21	structural	structural	ADJ
iajs-627	41	22	properties	property	NOUN
iajs-627	41	23	such	such	ADJ
iajs-627	41	24	as	as	ADP
iajs-627	41	25	details	detail	NOUN
iajs-627	41	26	on	on	ADP
iajs-627	41	27	the	the	DET
iajs-627	41	28	local	local	ADJ
iajs-627	41	29	structure	structure	NOUN
iajs-627	41	30	,	,	PUNCT
iajs-627	41	31	the	the	DET
iajs-627	41	32	following	follow	VERB
iajs-627	41	33	expressions	expression	NOUN
iajs-627	41	34	is	be	AUX
iajs-627	41	35	used	use	VERB
iajs-627	41	36	to	to	PART
iajs-627	41	37	calculate	calculate	VERB
iajs-627	41	38	rdf	rdf	NOUN
iajs-627	41	39	between	between	ADP
iajs-627	41	40	to	to	ADP
iajs-627	41	41	selected	select	VERB
iajs-627	41	42	atoms	atom	NOUN
iajs-627	42	1	a	a	PRON
iajs-627	42	2	and	and	CCONJ
iajs-627	42	3	b	b	NOUN
iajs-627	43	1	[	[	X
iajs-627	43	2	9	9	NUM
iajs-627	43	3	]	]	X
iajs-627	43	4	=	=	SYM
iajs-627	43	5	…	…	PUNCT
iajs-627	43	6	…	…	PUNCT
iajs-627	43	7	…	…	PUNCT
iajs-627	43	8	…	…	PUNCT
iajs-627	43	9	…	…	PUNCT
iajs-627	43	10	…	…	PUNCT
iajs-627	43	11	…	…	PUNCT
iajs-627	43	12	…	…	PUNCT
iajs-627	43	13	…	…	PUNCT
iajs-627	43	14	…	…	PUNCT
iajs-627	43	15	……	……	NOUN
iajs-627	43	16	……	……	NOUN
iajs-627	43	17	……	……	NOUN
iajs-627	43	18	……	……	NOUN
iajs-627	43	19	……	……	NOUN
iajs-627	43	20	……	……	NOUN
iajs-627	43	21	……	……	NOUN
iajs-627	43	22	……	……	NOUN
iajs-627	43	23	(	(	PUNCT
iajs-627	43	24	4	4	NUM
iajs-627	43	25	)	)	SYM
iajs-627	43	26	263	263	NUM
iajs-627	43	27	مجلة	مجلة	NOUN
iajs-627	43	28	إبن	إبن	VERB
iajs-627	43	29	الهيثم	الهيثم	ADJ
iajs-627	43	30	للعلوم	للعلوم	NOUN
iajs-627	43	31	الصرفة	الصرفة	NOUN
iajs-627	43	32	و	و	PRON
iajs-627	43	33	التطبيقية	التطبيقية	ADJ
iajs-627	43	34	2012	2012	NUM
iajs-627	43	35	السنة	السنة	NOUN
iajs-627	44	1	25	25	NUM
iajs-627	44	2	المجلد	المجلد	NOUN
iajs-627	44	3	1	1	NUM
iajs-627	44	4	العدد	العدد	PROPN
iajs-627	44	5	ibn	ibn	PROPN
iajs-627	44	6	al	al	PROPN
iajs-627	44	7	-	-	PUNCT
iajs-627	44	8	haitham	haitham	PROPN
iajs-627	44	9	journal	journal	PROPN
iajs-627	44	10	for	for	ADP
iajs-627	44	11	pure	pure	ADJ
iajs-627	44	12	and	and	CCONJ
iajs-627	44	13	applied	apply	VERB
iajs-627	44	14	science	science	NOUN
iajs-627	44	15	no	no	NOUN
iajs-627	44	16	.	.	NOUN
iajs-627	44	17	1	1	NUM
iajs-627	44	18	vol	vol	NOUN
iajs-627	44	19	.	.	PUNCT
iajs-627	45	1	25	25	NUM
iajs-627	45	2	year	year	NOUN
iajs-627	45	3	2012	2012	NUM
iajs-627	45	4	where	where	SCONJ
iajs-627	45	5	gab	gab	NOUN
iajs-627	45	6	:	:	PUNCT
iajs-627	45	7	radial	radial	ADJ
iajs-627	45	8	distribution	distribution	NOUN
iajs-627	45	9	function	function	NOUN
iajs-627	45	10	of	of	ADP
iajs-627	45	11	b	b	NOUN
iajs-627	45	12	type	type	NOUN
iajs-627	45	13	atoms	atom	NOUN
iajs-627	45	14	around	around	ADP
iajs-627	45	15	a	a	DET
iajs-627	45	16	type	type	NOUN
iajs-627	45	17	atom	atom	NOUN
iajs-627	45	18	ρab(r	ρab(r	NOUN
iajs-627	45	19	):	):	PUNCT
iajs-627	45	20	number	number	NOUN
iajs-627	45	21	density	density	NOUN
iajs-627	45	22	of	of	ADP
iajs-627	45	23	b	b	NOUN
iajs-627	45	24	type	type	NOUN
iajs-627	45	25	atoms	atom	NOUN
iajs-627	45	26	that	that	PRON
iajs-627	45	27	have	have	VERB
iajs-627	45	28	a	a	DET
iajs-627	45	29	distance	distance	NOUN
iajs-627	45	30	r	r	NOUN
iajs-627	45	31	from	from	ADP
iajs-627	45	32	a	a	DET
iajs-627	45	33	type	type	NOUN
iajs-627	45	34	atom(a0)-3	atom(a0)-3	PROPN
iajs-627	45	35	the	the	DET
iajs-627	45	36	local	local	ADJ
iajs-627	45	37	density	density	NOUN
iajs-627	45	38	is	be	AUX
iajs-627	45	39	given	give	VERB
iajs-627	45	40	by	by	ADP
iajs-627	45	41	[	[	PUNCT
iajs-627	45	42	9	9	NUM
iajs-627	45	43	]	]	PUNCT
iajs-627	45	44	:	:	PUNCT
iajs-627	45	45	ρab(r	ρab(r	X
iajs-627	45	46	)	)	PUNCT
iajs-627	45	47	=	=	SYM
iajs-627	45	48	…	…	PUNCT
iajs-627	45	49	…	…	PUNCT
iajs-627	45	50	…	…	PUNCT
iajs-627	45	51	…	…	PUNCT
iajs-627	45	52	…	…	PUNCT
iajs-627	45	53	…	…	PUNCT
iajs-627	45	54	…	…	PUNCT
iajs-627	45	55	…	…	PUNCT
iajs-627	45	56	…	…	PUNCT
iajs-627	45	57	…	…	PUNCT
iajs-627	45	58	…	…	PUNCT
iajs-627	45	59	…	…	PUNCT
iajs-627	45	60	…	…	PUNCT
iajs-627	45	61	…	…	PUNCT
iajs-627	45	62	…	…	PUNCT
iajs-627	45	63	…	…	PUNCT
iajs-627	45	64	…	…	PUNCT
iajs-627	45	65	…	…	PUNCT
iajs-627	45	66	…	…	PUNCT
iajs-627	45	67	…	…	PUNCT
iajs-627	45	68	…	…	PUNCT
iajs-627	45	69	…	…	PUNCT
iajs-627	45	70	…	…	PUNCT
iajs-627	45	71	…	…	PUNCT
iajs-627	45	72	…	…	PUNCT
iajs-627	45	73	..	..	PUNCT
iajs-627	45	74	(	(	PUNCT
iajs-627	45	75	5	5	NUM
iajs-627	45	76	)	)	PUNCT
iajs-627	45	77	:	:	PUNCT
iajs-627	45	78	average	average	ADJ
iajs-627	45	79	number	number	NOUN
iajs-627	45	80	of	of	ADP
iajs-627	45	81	b	b	NOUN
iajs-627	45	82	type	type	NOUN
iajs-627	45	83	atoms	atom	NOUN
iajs-627	45	84	that	that	PRON
iajs-627	45	85	have	have	VERB
iajs-627	45	86	a	a	DET
iajs-627	45	87	distance	distance	NOUN
iajs-627	45	88	between	between	ADP
iajs-627	45	89	r	r	NOUN
iajs-627	45	90	and	and	CCONJ
iajs-627	45	91	∆r	∆r	NOUN
iajs-627	45	92	from	from	ADP
iajs-627	45	93	a	a	DET
iajs-627	45	94	type	type	NOUN
iajs-627	45	95	atom	atom	NOUN
iajs-627	45	96	:	:	PUNCT
iajs-627	45	97	volume	volume	NOUN
iajs-627	45	98	of	of	ADP
iajs-627	45	99	spherical	spherical	ADJ
iajs-627	45	100	shell	shell	NOUN
iajs-627	45	101	between	between	ADP
iajs-627	45	102	r	r	NOUN
iajs-627	45	103	and	and	CCONJ
iajs-627	45	104	∆r	∆r	NOUN
iajs-627	45	105	(	(	PUNCT
iajs-627	45	106	a0)3	a0)3	ADP
iajs-627	45	107	the	the	DET
iajs-627	45	108	value	value	NOUN
iajs-627	45	109	of	of	ADP
iajs-627	45	110	spherical	spherical	ADJ
iajs-627	45	111	thickness	thickness	NOUN
iajs-627	45	112	∆r	∆r	NOUN
iajs-627	45	113	which	which	PRON
iajs-627	45	114	is	be	AUX
iajs-627	45	115	chosen	choose	VERB
iajs-627	45	116	small	small	ADJ
iajs-627	45	117	enough	enough	ADV
iajs-627	45	118	to	to	PART
iajs-627	45	119	provide	provide	VERB
iajs-627	45	120	important	important	ADJ
iajs-627	45	121	features	feature	NOUN
iajs-627	45	122	of	of	ADP
iajs-627	45	123	rdf	rdf	NOUN
iajs-627	45	124	but	but	CCONJ
iajs-627	45	125	large	large	ADJ
iajs-627	45	126	enough	enough	ADV
iajs-627	45	127	to	to	PART
iajs-627	45	128	assure	assure	VERB
iajs-627	45	129	good	good	ADJ
iajs-627	45	130	statistics	statistic	NOUN
iajs-627	45	131	,	,	PUNCT
iajs-627	45	132	finally	finally	ADV
iajs-627	45	133	the	the	DET
iajs-627	45	134	gab	gab	PROPN
iajs-627	45	135	was	be	AUX
iajs-627	45	136	normalized	normalize	VERB
iajs-627	45	137	according	accord	VERB
iajs-627	45	138	to	to	ADP
iajs-627	45	139	the	the	DET
iajs-627	45	140	equation	equation	NOUN
iajs-627	45	141	[	[	X
iajs-627	45	142	8	8	NUM
iajs-627	45	143	]	]	PUNCT
iajs-627	45	144	:	:	PUNCT
iajs-627	45	145	(	(	PUNCT
iajs-627	45	146	r)dr	r)dr	NOUN
iajs-627	45	147	=	=	SYM
iajs-627	45	148	1	1	NUM
iajs-627	45	149	…	…	SYM
iajs-627	45	150	…	…	PUNCT
iajs-627	45	151	…	…	PUNCT
iajs-627	45	152	…	…	PUNCT
iajs-627	45	153	…	…	PUNCT
iajs-627	45	154	…	…	PUNCT
iajs-627	45	155	…	…	PUNCT
iajs-627	45	156	…	…	PUNCT
iajs-627	45	157	…	…	PUNCT
iajs-627	45	158	…	…	PUNCT
iajs-627	45	159	…	…	PUNCT
iajs-627	45	160	…	…	PUNCT
iajs-627	45	161	…	…	PUNCT
iajs-627	45	162	…	…	PUNCT
iajs-627	45	163	…	…	PUNCT
iajs-627	45	164	…	…	PUNCT
iajs-627	45	165	…	…	PUNCT
iajs-627	45	166	…	…	PUNCT
iajs-627	45	167	…	…	PUNCT
iajs-627	45	168	…	…	PUNCT
iajs-627	45	169	…	…	PUNCT
iajs-627	45	170	…	…	PUNCT
iajs-627	45	171	…	…	PUNCT
iajs-627	45	172	…	…	PUNCT
iajs-627	45	173	…	…	PUNCT
iajs-627	45	174	…	…	PUNCT
iajs-627	45	175	(6	(6	NUM
iajs-627	45	176	)	)	PUNCT
iajs-627	45	177	v	v	NOUN
iajs-627	45	178	:	:	PUNCT
iajs-627	45	179	volume	volume	NOUN
iajs-627	45	180	of	of	ADP
iajs-627	45	181	the	the	DET
iajs-627	45	182	simulation	simulation	NOUN
iajs-627	45	183	solution	solution	NOUN
iajs-627	45	184	(	(	PUNCT
iajs-627	45	185	a0)3	a0)3	ADP
iajs-627	45	186	rdf	rdf	NOUN
iajs-627	45	187	was	be	AUX
iajs-627	45	188	displayed	display	VERB
iajs-627	45	189	in	in	ADP
iajs-627	45	190	figures	figure	NOUN
iajs-627	45	191	(	(	PUNCT
iajs-627	45	192	6	6	NUM
iajs-627	45	193	,	,	PUNCT
iajs-627	45	194	7	7	NUM
iajs-627	45	195	,	,	PUNCT
iajs-627	45	196	8	8	NUM
iajs-627	45	197	,	,	PUNCT
iajs-627	45	198	9	9	NUM
iajs-627	45	199	,	,	PUNCT
iajs-627	45	200	10	10	NUM
iajs-627	45	201	and	and	CCONJ
iajs-627	45	202	11	11	NUM
iajs-627	45	203	)	)	PUNCT
iajs-627	45	204	.	.	PUNCT
iajs-627	46	1	rdf	rdf	VERB
iajs-627	46	2	for	for	ADP
iajs-627	46	3	all	all	DET
iajs-627	46	4	figures	figure	NOUN
iajs-627	46	5	indicate	indicate	VERB
iajs-627	46	6	few	few	ADJ
iajs-627	46	7	numbers	number	NOUN
iajs-627	46	8	of	of	ADP
iajs-627	46	9	water	water	NOUN
iajs-627	46	10	molecules	molecule	NOUN
iajs-627	46	11	at	at	ADP
iajs-627	46	12	a	a	DET
iajs-627	46	13	distance	distance	NOUN
iajs-627	46	14	smaller	small	ADJ
iajs-627	46	15	than	than	ADP
iajs-627	46	16	3.9a0	3.9a0	NUM
iajs-627	46	17	because	because	SCONJ
iajs-627	46	18	the	the	DET
iajs-627	46	19	steric	steric	ADJ
iajs-627	46	20	effect	effect	NOUN
iajs-627	46	21	of	of	ADP
iajs-627	46	22	residual	residual	ADJ
iajs-627	46	23	sides	side	NOUN
iajs-627	46	24	of	of	ADP
iajs-627	46	25	imidazole	imidazole	NOUN
iajs-627	46	26	that	that	PRON
iajs-627	46	27	prevent	prevent	VERB
iajs-627	46	28	water	water	NOUN
iajs-627	46	29	from	from	ADP
iajs-627	46	30	being	be	AUX
iajs-627	46	31	closer	close	ADJ
iajs-627	46	32	to	to	ADP
iajs-627	46	33	the	the	DET
iajs-627	46	34	specific	specific	ADJ
iajs-627	46	35	interaction	interaction	NOUN
iajs-627	46	36	sites	site	NOUN
iajs-627	46	37	of	of	ADP
iajs-627	46	38	imidazole	imidazole	NOUN
iajs-627	46	39	,	,	PUNCT
iajs-627	46	40	the	the	DET
iajs-627	46	41	interaction	interaction	NOUN
iajs-627	46	42	n	n	CCONJ
iajs-627	46	43	-	-	PUNCT
iajs-627	46	44	h.	h.	NOUN
iajs-627	46	45	…	…	PROPN
iajs-627	46	46	oh2	oh2	NOUN
iajs-627	46	47	at	at	ADP
iajs-627	46	48	298.15k	298.15k	NUM
iajs-627	46	49	figure	figure	NOUN
iajs-627	46	50	(	(	PUNCT
iajs-627	46	51	6	6	NUM
iajs-627	46	52	)	)	PUNCT
iajs-627	46	53	indicates	indicate	VERB
iajs-627	46	54	high	high	ADJ
iajs-627	46	55	order	order	NOUN
iajs-627	46	56	of	of	ADP
iajs-627	46	57	water	water	NOUN
iajs-627	46	58	molecules	molecule	NOUN
iajs-627	46	59	around	around	ADP
iajs-627	46	60	acidic	acidic	ADJ
iajs-627	46	61	proton	proton	NOUN
iajs-627	46	62	of	of	ADP
iajs-627	46	63	imidazole	imidazole	NOUN
iajs-627	46	64	specially	specially	ADV
iajs-627	46	65	at	at	ADP
iajs-627	46	66	a	a	DET
iajs-627	46	67	distance	distance	NOUN
iajs-627	46	68	approximate	approximate	NOUN
iajs-627	46	69	to	to	ADP
iajs-627	46	70	5a0	5a0	NUM
iajs-627	46	71	which	which	PRON
iajs-627	46	72	we	we	PRON
iajs-627	46	73	can	can	AUX
iajs-627	46	74	consider	consider	VERB
iajs-627	46	75	it	it	PRON
iajs-627	46	76	as	as	ADP
iajs-627	46	77	a	a	DET
iajs-627	46	78	main	main	ADJ
iajs-627	46	79	hydration	hydration	NOUN
iajs-627	46	80	shell	shell	NOUN
iajs-627	46	81	at	at	ADP
iajs-627	46	82	this	this	DET
iajs-627	46	83	temperature	temperature	NOUN
iajs-627	46	84	(	(	PUNCT
iajs-627	46	85	include	include	VERB
iajs-627	46	86	about45	about45	NOUN
iajs-627	46	87	water	water	NOUN
iajs-627	46	88	molecules	molecule	NOUN
iajs-627	46	89	)	)	PUNCT
iajs-627	46	90	the	the	DET
iajs-627	46	91	sharpness	sharpness	NOUN
iajs-627	46	92	of	of	ADP
iajs-627	46	93	the	the	DET
iajs-627	46	94	peaks	peak	NOUN
iajs-627	46	95	that	that	PRON
iajs-627	46	96	exist	exist	VERB
iajs-627	46	97	in	in	ADP
iajs-627	46	98	this	this	DET
iajs-627	46	99	figure	figure	NOUN
iajs-627	46	100	is	be	AUX
iajs-627	46	101	similar	similar	ADJ
iajs-627	46	102	to	to	ADP
iajs-627	46	103	that	that	PRON
iajs-627	46	104	of	of	ADP
iajs-627	46	105	solid	solid	ADJ
iajs-627	46	106	state	state	NOUN
iajs-627	46	107	materials	material	NOUN
iajs-627	46	108	[	[	X
iajs-627	46	109	10	10	NUM
iajs-627	46	110	]	]	PUNCT
iajs-627	46	111	make	make	VERB
iajs-627	46	112	we	we	PRON
iajs-627	46	113	propose	propose	VERB
iajs-627	46	114	the	the	DET
iajs-627	46	115	water	water	NOUN
iajs-627	46	116	molecules	molecule	NOUN
iajs-627	46	117	in	in	ADP
iajs-627	46	118	these	these	DET
iajs-627	46	119	hydration	hydration	NOUN
iajs-627	46	120	shells	shell	NOUN
iajs-627	46	121	is	be	AUX
iajs-627	46	122	(	(	PUNCT
iajs-627	46	123	bulk	bulk	ADJ
iajs-627	46	124	water	water	NOUN
iajs-627	46	125	)	)	PUNCT
iajs-627	46	126	or	or	CCONJ
iajs-627	46	127	they	they	PRON
iajs-627	46	128	have	have	VERB
iajs-627	46	129	semi	semi	ADV
iajs-627	46	130	regular	regular	ADJ
iajs-627	46	131	lattice	lattice	NOUN
iajs-627	47	1	[	[	X
iajs-627	47	2	11	11	NUM
iajs-627	47	3	]	]	PUNCT
iajs-627	47	4	,	,	PUNCT
iajs-627	47	5	this	this	DET
iajs-627	47	6	behavior	behavior	NOUN
iajs-627	47	7	is	be	AUX
iajs-627	47	8	described	describe	VERB
iajs-627	47	9	as	as	ADP
iajs-627	47	10	a	a	DET
iajs-627	47	11	structure	structure	NOUN
iajs-627	47	12	making	make	VERB
iajs-627	47	13	property	property	NOUN
iajs-627	47	14	in	in	ADP
iajs-627	47	15	practical	practical	ADJ
iajs-627	47	16	volumetric	volumetric	NOUN
iajs-627	47	17	and	and	CCONJ
iajs-627	47	18	viscometric	viscometric	ADJ
iajs-627	47	19	studies[12,13	studies[12,13	NOUN
iajs-627	47	20	]	]	PUNCT
iajs-627	47	21	,	,	PUNCT
iajs-627	47	22	the	the	DET
iajs-627	47	23	second	second	ADJ
iajs-627	47	24	highest	high	ADJ
iajs-627	47	25	peak	peak	NOUN
iajs-627	47	26	near	near	ADP
iajs-627	47	27	7.3a0	7.3a0	NUM
iajs-627	47	28	belong	belong	VERB
iajs-627	47	29	to	to	ADP
iajs-627	47	30	the	the	DET
iajs-627	47	31	second	second	ADJ
iajs-627	47	32	hydration	hydration	NOUN
iajs-627	47	33	shell	shell	NOUN
iajs-627	47	34	which	which	PRON
iajs-627	47	35	contains	contain	VERB
iajs-627	47	36	15	15	NUM
iajs-627	47	37	water	water	NOUN
iajs-627	47	38	molecules	molecule	NOUN
iajs-627	47	39	,	,	PUNCT
iajs-627	47	40	the	the	DET
iajs-627	47	41	distance	distance	NOUN
iajs-627	47	42	between	between	ADP
iajs-627	47	43	first	first	ADJ
iajs-627	47	44	and	and	CCONJ
iajs-627	47	45	second	second	ADJ
iajs-627	47	46	hydration	hydration	NOUN
iajs-627	47	47	shells	shell	NOUN
iajs-627	47	48	is	be	AUX
iajs-627	47	49	2.3a0	2.3a0	NUM
iajs-627	47	50	correspond	correspond	VERB
iajs-627	47	51	to	to	ADP
iajs-627	47	52	the	the	DET
iajs-627	47	53	diameter	diameter	NOUN
iajs-627	47	54	of	of	ADP
iajs-627	47	55	water	water	NOUN
iajs-627	47	56	molecule	molecule	NOUN
iajs-627	47	57	,	,	PUNCT
iajs-627	47	58	in	in	ADP
iajs-627	47	59	the	the	DET
iajs-627	47	60	site	site	NOUN
iajs-627	47	61	n	n	CCONJ
iajs-627	47	62	…	…	PUNCT
iajs-627	47	63	hoh	hoh	X
iajs-627	47	64	at	at	ADP
iajs-627	47	65	the	the	DET
iajs-627	47	66	same	same	ADJ
iajs-627	47	67	temperature	temperature	NOUN
iajs-627	47	68	as	as	SCONJ
iajs-627	47	69	indicated	indicate	VERB
iajs-627	47	70	in	in	ADP
iajs-627	47	71	figure	figure	NOUN
iajs-627	47	72	(	(	PUNCT
iajs-627	47	73	7	7	NUM
iajs-627	47	74	)	)	PUNCT
iajs-627	47	75	the	the	DET
iajs-627	47	76	regulation	regulation	NOUN
iajs-627	47	77	of	of	ADP
iajs-627	47	78	water	water	NOUN
iajs-627	47	79	molecules	molecule	NOUN
iajs-627	47	80	around	around	ADP
iajs-627	47	81	5a0	5a0	NUM
iajs-627	47	82	is	be	AUX
iajs-627	47	83	less	less	ADJ
iajs-627	47	84	than	than	ADP
iajs-627	47	85	that	that	PRON
iajs-627	47	86	of	of	ADP
iajs-627	47	87	the	the	DET
iajs-627	47	88	previous	previous	ADJ
iajs-627	47	89	site	site	NOUN
iajs-627	47	90	where	where	SCONJ
iajs-627	47	91	there	there	PRON
iajs-627	47	92	is	be	VERB
iajs-627	47	93	a	a	DET
iajs-627	47	94	remarkable	remarkable	ADJ
iajs-627	47	95	amount	amount	NOUN
iajs-627	47	96	of	of	ADP
iajs-627	47	97	non	non	ADJ
iajs-627	47	98	-	-	ADJ
iajs-627	47	99	ordered	ordered	ADJ
iajs-627	47	100	dense	dense	ADJ
iajs-627	47	101	water	water	NOUN
iajs-627	47	102	molecules	molecule	NOUN
iajs-627	47	103	contribute	contribute	VERB
iajs-627	47	104	with	with	ADP
iajs-627	47	105	ordered	order	VERB
iajs-627	47	106	water	water	NOUN
iajs-627	47	107	molecules	molecule	NOUN
iajs-627	47	108	in	in	ADP
iajs-627	47	109	this	this	DET
iajs-627	47	110	hydration	hydration	NOUN
iajs-627	47	111	shell	shell	NOUN
iajs-627	47	112	in	in	ADP
iajs-627	47	113	addition	addition	NOUN
iajs-627	47	114	there	there	PRON
iajs-627	47	115	is	be	VERB
iajs-627	47	116	a	a	DET
iajs-627	47	117	second	second	ADJ
iajs-627	47	118	hydration	hydration	NOUN
iajs-627	47	119	shell	shell	NOUN
iajs-627	47	120	around	around	ADP
iajs-627	47	121	this	this	DET
iajs-627	47	122	site	site	NOUN
iajs-627	47	123	contains	contain	VERB
iajs-627	47	124	ordered	order	VERB
iajs-627	47	125	water	water	NOUN
iajs-627	47	126	molecules	molecule	NOUN
iajs-627	47	127	at	at	ADP
iajs-627	47	128	about	about	ADP
iajs-627	47	129	6.4a0	6.4a0	NUM
iajs-627	47	130	.	.	PUNCT
iajs-627	48	1	at	at	ADP
iajs-627	48	2	303.15k	303.15k	NUM
iajs-627	48	3	figure	figure	NOUN
iajs-627	48	4	(	(	PUNCT
iajs-627	48	5	8)	8)	NUM
iajs-627	48	6	indicates	indicate	VERB
iajs-627	48	7	decrease	decrease	NOUN
iajs-627	48	8	of	of	ADP
iajs-627	48	9	the	the	DET
iajs-627	48	10	order	order	NOUN
iajs-627	48	11	of	of	ADP
iajs-627	48	12	water	water	NOUN
iajs-627	48	13	molecules	molecule	NOUN
iajs-627	48	14	around	around	ADP
iajs-627	48	15	n	n	CCONJ
iajs-627	48	16	-	-	PUNCT
iajs-627	48	17	h	h	NOUN
iajs-627	48	18	site	site	NOUN
iajs-627	48	19	also	also	ADV
iajs-627	48	20	there	there	PRON
iajs-627	48	21	is	be	VERB
iajs-627	48	22	a	a	DET
iajs-627	48	23	strong	strong	ADJ
iajs-627	48	24	hydrogen	hydrogen	NOUN
iajs-627	48	25	bonding	bonding	NOUN
iajs-627	48	26	with	with	ADP
iajs-627	48	27	one	one	NUM
iajs-627	48	28	water	water	NOUN
iajs-627	48	29	molecule	molecule	NOUN
iajs-627	48	30	has	have	VERB
iajs-627	48	31	a	a	DET
iajs-627	48	32	distance	distance	NOUN
iajs-627	48	33	2.9a0	2.9a0	NUM
iajs-627	48	34	that	that	PRON
iajs-627	48	35	contributes	contribute	VERB
iajs-627	48	36	with	with	ADP
iajs-627	48	37	increasing	increase	VERB
iajs-627	48	38	thermal	thermal	ADJ
iajs-627	48	39	energy	energy	NOUN
iajs-627	48	40	by	by	ADP
iajs-627	48	41	disorder	disorder	NOUN
iajs-627	48	42	raising	raising	NOUN
iajs-627	48	43	of	of	ADP
iajs-627	48	44	water	water	NOUN
iajs-627	48	45	molecules	molecule	NOUN
iajs-627	48	46	around	around	ADP
iajs-627	48	47	n	n	CCONJ
iajs-627	48	48	-	-	PUNCT
iajs-627	48	49	h	h	NOUN
iajs-627	48	50	site	site	NOUN
iajs-627	48	51	,	,	PUNCT
iajs-627	48	52	in	in	ADP
iajs-627	48	53	other	other	ADJ
iajs-627	48	54	hand	hand	NOUN
iajs-627	48	55	the	the	DET
iajs-627	48	56	regulation	regulation	NOUN
iajs-627	48	57	around	around	ADP
iajs-627	48	58	n	n	PRON
iajs-627	48	59	site	site	NOUN
iajs-627	48	60	[	[	X
iajs-627	48	61	figure(9	figure(9	NUM
iajs-627	48	62	)	)	PUNCT
iajs-627	48	63	]	]	PUNCT
iajs-627	48	64	at	at	ADP
iajs-627	48	65	about	about	ADP
iajs-627	48	66	3.9a0	3.9a0	NUM
iajs-627	48	67	is	be	AUX
iajs-627	48	68	increased	increase	VERB
iajs-627	48	69	which	which	PRON
iajs-627	48	70	seems	seem	VERB
iajs-627	48	71	as	as	SCONJ
iajs-627	48	72	water	water	NOUN
iajs-627	48	73	molecules	molecule	NOUN
iajs-627	48	74	have	have	AUX
iajs-627	48	75	transferred	transfer	VERB
iajs-627	48	76	their	their	PRON
iajs-627	48	77	ordered	order	VERB
iajs-627	48	78	structures	structure	NOUN
iajs-627	48	79	around	around	ADP
iajs-627	48	80	this	this	DET
iajs-627	48	81	site	site	NOUN
iajs-627	48	82	and	and	CCONJ
iajs-627	48	83	lifting	lift	VERB
iajs-627	48	84	the	the	DET
iajs-627	48	85	n	n	CCONJ
iajs-627	48	86	-	-	PUNCT
iajs-627	48	87	h	h	NOUN
iajs-627	48	88	site	site	NOUN
iajs-627	48	89	this	this	PRON
iajs-627	48	90	perhaps	perhaps	ADV
iajs-627	48	91	is	be	AUX
iajs-627	48	92	due	due	ADJ
iajs-627	48	93	to	to	ADP
iajs-627	48	94	the	the	DET
iajs-627	48	95	increasing	increase	VERB
iajs-627	48	96	vibrational	vibrational	ADJ
iajs-627	48	97	motion	motion	NOUN
iajs-627	48	98	of	of	ADP
iajs-627	48	99	n	n	CCONJ
iajs-627	48	100	-	-	PUNCT
iajs-627	48	101	h	h	NOUN
iajs-627	48	102	bond	bond	NOUN
iajs-627	48	103	and	and	CCONJ
iajs-627	48	104	the	the	DET
iajs-627	48	105	water	water	NOUN
iajs-627	48	106	molecule	molecule	NOUN
iajs-627	48	107	that	that	PRON
iajs-627	48	108	is	be	AUX
iajs-627	48	109	attached	attach	VERB
iajs-627	48	110	with	with	ADP
iajs-627	48	111	it	it	PRON
iajs-627	48	112	by	by	ADP
iajs-627	48	113	hydrogen	hydrogen	NOUN
iajs-627	48	114	bonding	bonding	NOUN
iajs-627	48	115	this	this	DET
iajs-627	48	116	motion	motion	NOUN
iajs-627	48	117	act	act	NOUN
iajs-627	48	118	to	to	PART
iajs-627	48	119	destroy	destroy	VERB
iajs-627	48	120	ordered	order	VERB
iajs-627	48	121	structures	structure	NOUN
iajs-627	48	122	around	around	ADP
iajs-627	48	123	this	this	DET
iajs-627	48	124	site	site	NOUN
iajs-627	48	125	and	and	CCONJ
iajs-627	48	126	act	act	VERB
iajs-627	48	127	to	to	PART
iajs-627	48	128	push	push	VERB
iajs-627	48	129	these	these	DET
iajs-627	48	130	structures	structure	NOUN
iajs-627	48	131	away	away	ADV
iajs-627	48	132	to	to	ADP
iajs-627	48	133	other	other	ADJ
iajs-627	48	134	site	site	NOUN
iajs-627	48	135	n.	n.	NOUN
iajs-627	48	136	figure	figure	NOUN
iajs-627	48	137	(	(	PUNCT
iajs-627	48	138	10	10	NUM
iajs-627	48	139	)	)	PUNCT
iajs-627	48	140	indicates	indicate	VERB
iajs-627	48	141	returning	return	VERB
iajs-627	48	142	the	the	DET
iajs-627	48	143	order	order	NOUN
iajs-627	48	144	of	of	ADP
iajs-627	48	145	water	water	NOUN
iajs-627	48	146	molecules	molecule	NOUN
iajs-627	48	147	around	around	ADP
iajs-627	48	148	n	n	CCONJ
iajs-627	48	149	-	-	PUNCT
iajs-627	48	150	h	h	NOUN
iajs-627	48	151	site	site	NOUN
iajs-627	48	152	at	at	ADP
iajs-627	48	153	308.15k	308.15k	NUM
iajs-627	48	154	but	but	CCONJ
iajs-627	48	155	the	the	DET
iajs-627	48	156	maximum	maximum	ADJ
iajs-627	48	157	intensity	intensity	NOUN
iajs-627	48	158	is	be	AUX
iajs-627	48	159	shifted	shift	VERB
iajs-627	48	160	near	near	ADP
iajs-627	48	161	10a0	10a0	NUM
iajs-627	48	162	away	away	ADV
iajs-627	48	163	from	from	ADP
iajs-627	48	164	raising	raise	VERB
iajs-627	48	165	vibrated	vibrated	ADJ
iajs-627	48	166	species	specie	NOUN
iajs-627	48	167	and	and	CCONJ
iajs-627	48	168	the	the	DET
iajs-627	48	169	sequence	sequence	NOUN
iajs-627	48	170	of	of	ADP
iajs-627	48	171	intensities	intensity	NOUN
iajs-627	48	172	is	be	AUX
iajs-627	48	173	reversed	reverse	VERB
iajs-627	48	174	from	from	ADP
iajs-627	48	175	that	that	PRON
iajs-627	48	176	of	of	ADP
iajs-627	48	177	figure	figure	NOUN
iajs-627	48	178	(	(	PUNCT
iajs-627	48	179	6	6	NUM
iajs-627	48	180	)	)	PUNCT
iajs-627	48	181	at	at	ADP
iajs-627	48	182	298.15k	298.15k	NUM
iajs-627	48	183	indicating	indicate	VERB
iajs-627	48	184	the	the	DET
iajs-627	48	185	decrease	decrease	NOUN
iajs-627	48	186	of	of	ADP
iajs-627	48	187	stability	stability	NOUN
iajs-627	48	188	of	of	ADP
iajs-627	48	189	bulk	bulk	ADJ
iajs-627	48	190	water	water	NOUN
iajs-627	48	191	as	as	SCONJ
iajs-627	48	192	it	it	PRON
iajs-627	48	193	becomes	become	VERB
iajs-627	48	194	close	close	ADJ
iajs-627	48	195	to	to	ADP
iajs-627	48	196	n	n	CCONJ
iajs-627	48	197	-	-	PUNCT
iajs-627	48	198	h	h	NOUN
iajs-627	48	199	site	site	NOUN
iajs-627	48	200	while	while	SCONJ
iajs-627	48	201	figure	figure	NOUN
iajs-627	48	202	(	(	PUNCT
iajs-627	48	203	11	11	NUM
iajs-627	48	204	)	)	PUNCT
iajs-627	48	205	indicates	indicate	VERB
iajs-627	48	206	the	the	DET
iajs-627	48	207	site	site	NOUN
iajs-627	48	208	n	n	PRON
iajs-627	48	209	has	have	VERB
iajs-627	48	210	approximately	approximately	ADV
iajs-627	48	211	similar	similar	ADJ
iajs-627	48	212	structure	structure	NOUN
iajs-627	48	213	of	of	ADP
iajs-627	48	214	hydration	hydration	NOUN
iajs-627	48	215	shells	shell	NOUN
iajs-627	48	216	in	in	ADP
iajs-627	48	217	298.15k	298.15k	NUM
iajs-627	48	218	and	and	CCONJ
iajs-627	48	219	308.15k	308.15k	NUM
iajs-627	48	220	in	in	ADP
iajs-627	48	221	the	the	DET
iajs-627	48	222	light	light	NOUN
iajs-627	48	223	of	of	ADP
iajs-627	48	224	connection	connection	NOUN
iajs-627	48	225	of	of	ADP
iajs-627	48	226	the	the	DET
iajs-627	48	227	results	result	NOUN
iajs-627	48	228	in	in	ADP
iajs-627	48	229	this	this	DET
iajs-627	48	230	work	work	NOUN
iajs-627	48	231	with	with	ADP
iajs-627	48	232	our	our	PRON
iajs-627	48	233	previous	previous	ADJ
iajs-627	48	234	practical	practical	ADJ
iajs-627	48	235	results	result	NOUN
iajs-627	48	236	[	[	X
iajs-627	48	237	14	14	NUM
iajs-627	48	238	]	]	X
iajs-627	48	239	it	it	PRON
iajs-627	48	240	can	can	AUX
iajs-627	48	241	be	be	AUX
iajs-627	48	242	estimated	estimate	VERB
iajs-627	48	243	that	that	SCONJ
iajs-627	48	244	in	in	ADP
iajs-627	48	245	spite	spite	NOUN
iajs-627	48	246	of	of	ADP
iajs-627	48	247	ignoring	ignore	VERB
iajs-627	48	248	the	the	DET
iajs-627	48	249	effect	effect	NOUN
iajs-627	48	250	of	of	ADP
iajs-627	48	251	ionization	ionization	NOUN
iajs-627	48	252	and	and	CCONJ
iajs-627	48	253	association	association	NOUN
iajs-627	48	254	in	in	ADP
iajs-627	48	255	this	this	DET
iajs-627	48	256	work	work	NOUN
iajs-627	48	257	and	and	CCONJ
iajs-627	48	258	left	leave	VERB
iajs-627	48	259	them	they	PRON
iajs-627	48	260	as	as	ADP
iajs-627	48	261	a	a	DET
iajs-627	48	262	subject	subject	NOUN
iajs-627	48	263	of	of	ADP
iajs-627	48	264	other	other	ADJ
iajs-627	48	265	works	work	NOUN
iajs-627	48	266	we	we	PRON
iajs-627	48	267	can	can	AUX
iajs-627	48	268	conclude	conclude	VERB
iajs-627	48	269	that	that	SCONJ
iajs-627	48	270	increasing	increase	VERB
iajs-627	48	271	the	the	DET
iajs-627	48	272	value	value	NOUN
iajs-627	48	273	of	of	ADP
iajs-627	48	274	limited	limited	ADJ
iajs-627	48	275	apparent	apparent	ADJ
iajs-627	48	276	molal	molal	NOUN
iajs-627	48	277	volume	volume	NOUN
iajs-627	48	278	with	with	ADP
iajs-627	48	279	increasing	increase	VERB
iajs-627	48	280	temperature	temperature	NOUN
iajs-627	48	281	agrees	agree	VERB
iajs-627	48	282	with	with	ADP
iajs-627	48	283	shifting	shift	VERB
iajs-627	48	284	of	of	ADP
iajs-627	48	285	hydration	hydration	NOUN
iajs-627	48	286	shell	shell	NOUN
iajs-627	48	287	at	at	ADP
iajs-627	48	288	n	n	NOUN
iajs-627	48	289	-	-	PUNCT
iajs-627	48	290	h	h	NOUN
iajs-627	48	291	from	from	ADP
iajs-627	48	292	5a0	5a0	NUM
iajs-627	48	293	to	to	ADP
iajs-627	48	294	10a0	10a0	NUM
iajs-627	48	295	also	also	ADV
iajs-627	48	296	the	the	DET
iajs-627	48	297	effect	effect	NOUN
iajs-627	48	298	of	of	ADP
iajs-627	48	299	imidazole	imidazole	NOUN
iajs-627	48	300	molecule	molecule	NOUN
iajs-627	48	301	as	as	ADP
iajs-627	48	302	a	a	DET
iajs-627	48	303	structure	structure	NOUN
iajs-627	48	304	-	-	PUNCT
iajs-627	48	305	breaking	break	VERB
iajs-627	48	306	264	264	NUM
iajs-627	48	307	مجلة	مجلة	NOUN
iajs-627	49	1	إبن	إبن	VERB
iajs-627	49	2	الهيثم	الهيثم	ADJ
iajs-627	49	3	للعلوم	للعلوم	NOUN
iajs-627	49	4	الصرفة	الصرفة	NOUN
iajs-627	50	1	و	و	PRON
iajs-627	50	2	التطبيقية	التطبيقية	ADJ
iajs-627	50	3	2012	2012	NUM
iajs-627	50	4	السنة	السنة	NOUN
iajs-627	50	5	25	25	NUM
iajs-627	51	1	المجلد	المجلد	NOUN
iajs-627	52	1	1	1	NUM
iajs-627	53	1	العدد	العدد	PROPN
iajs-627	53	2	ibn	ibn	PROPN
iajs-627	53	3	al	al	PROPN
iajs-627	53	4	-	-	PUNCT
iajs-627	53	5	haitham	haitham	PROPN
iajs-627	53	6	journal	journal	PROPN
iajs-627	53	7	for	for	ADP
iajs-627	53	8	pure	pure	ADJ
iajs-627	53	9	and	and	CCONJ
iajs-627	53	10	applied	apply	VERB
iajs-627	53	11	science	science	NOUN
iajs-627	53	12	no	no	NOUN
iajs-627	53	13	.	.	NOUN
iajs-627	53	14	1	1	NUM
iajs-627	53	15	vol	vol	NOUN
iajs-627	53	16	.	.	PUNCT
iajs-627	54	1	25	25	NUM
iajs-627	54	2	year	year	NOUN
iajs-627	54	3	2012	2012	NUM
iajs-627	54	4	material	material	NOUN
iajs-627	54	5	agrees	agree	VERB
iajs-627	54	6	with	with	ADP
iajs-627	54	7	decay	decay	NOUN
iajs-627	54	8	of	of	ADP
iajs-627	54	9	hydration	hydration	NOUN
iajs-627	54	10	shell	shell	NOUN
iajs-627	54	11	in	in	ADP
iajs-627	54	12	n	n	CCONJ
iajs-627	54	13	-	-	PUNCT
iajs-627	54	14	h	h	NOUN
iajs-627	54	15	site	site	NOUN
iajs-627	54	16	at	at	ADP
iajs-627	54	17	303.15k	303.15k	NUM
iajs-627	54	18	and	and	CCONJ
iajs-627	54	19	this	this	DET
iajs-627	54	20	decay	decay	NOUN
iajs-627	54	21	behavior	behavior	NOUN
iajs-627	54	22	is	be	AUX
iajs-627	54	23	the	the	DET
iajs-627	54	24	major	major	NOUN
iajs-627	54	25	of	of	ADP
iajs-627	54	26	observation	observation	NOUN
iajs-627	54	27	in	in	ADP
iajs-627	54	28	the	the	DET
iajs-627	54	29	practical	practical	ADJ
iajs-627	54	30	study	study	NOUN
iajs-627	54	31	.	.	PUNCT
iajs-627	55	1	references	reference	NOUN
iajs-627	55	2	1branden	1branden	NUM
iajs-627	55	3	,	,	PUNCT
iajs-627	55	4	c.	c.	NOUN
iajs-627	55	5	and	and	CCONJ
iajs-627	55	6	tooze	tooze	PROPN
iajs-627	55	7	,	,	PUNCT
iajs-627	55	8	j.	j.	PROPN
iajs-627	55	9	(	(	PUNCT
iajs-627	55	10	1999)”introduction	1999)”introduction	NUM
iajs-627	55	11	to	to	ADP
iajs-627	55	12	protein	protein	NOUN
iajs-627	55	13	structure	structure	NOUN
iajs-627	55	14	”	"	PUNCT
iajs-627	55	15	,	,	PUNCT
iajs-627	55	16	second	second	ADJ
iajs-627	55	17	edition	edition	NOUN
iajs-627	55	18	,	,	PUNCT
iajs-627	55	19	garland	garland	NOUN
iajs-627	55	20	publishing	publishing	NOUN
iajs-627	55	21	,	,	PUNCT
iajs-627	55	22	usa	usa	PROPN
iajs-627	55	23	2swarnalatha	2swarnalatha	NUM
iajs-627	55	24	,	,	PUNCT
iajs-627	55	25	y.	y.	PROPN
iajs-627	55	26	and	and	CCONJ
iajs-627	55	27	thomas	thomas	PROPN
iajs-627	55	28	,	,	PUNCT
iajs-627	55	29	c.	c.	PROPN
iajs-627	55	30	(	(	PUNCT
iajs-627	55	31	2004)"determination	2004)"determination	NOUN
iajs-627	55	32	of	of	ADP
iajs-627	55	33	enzyme	enzyme	NOUN
iajs-627	55	34	mechanisms	mechanism	NOUN
iajs-627	55	35	by	by	ADP
iajs-627	55	36	molecular	molecular	ADJ
iajs-627	55	37	dynamics	dynamic	NOUN
iajs-627	55	38	studies	study	NOUN
iajs-627	55	39	on	on	ADP
iajs-627	55	40	quinoproteins	quinoprotein	NOUN
iajs-627	55	41	,	,	PUNCT
iajs-627	55	42	methanol	methanol	NOUN
iajs-627	55	43	dehydrogenase	dehydrogenase	NOUN
iajs-627	55	44	,	,	PUNCT
iajs-627	55	45	and	and	CCONJ
iajs-627	55	46	soluble	soluble	ADJ
iajs-627	55	47	glucose	glucose	NOUN
iajs-627	55	48	dehydrogenase	dehydrogenase	NOUN
iajs-627	55	49	"	"	PUNCT
iajs-627	55	50	,	,	PUNCT
iajs-627	55	51	protein	protein	NOUN
iajs-627	55	52	science	science	NOUN
iajs-627	55	53	,	,	PUNCT
iajs-627	55	54	13	13	NUM
iajs-627	55	55	:	:	SYM
iajs-627	55	56	1965	1965	NUM
iajs-627	55	57	-	-	SYM
iajs-627	55	58	1978	1978	NUM
iajs-627	55	59	3xu	3xu	NOUN
iajs-627	55	60	,	,	PUNCT
iajs-627	55	61	d.	d.	PROPN
iajs-627	55	62	;	;	PUNCT
iajs-627	55	63	wei	wei	PROPN
iajs-627	55	64	,	,	PUNCT
iajs-627	55	65	y.	y.	PROPN
iajs-627	55	66	;	;	PUNCT
iajs-627	55	67	wu	wu	PROPN
iajs-627	55	68	,	,	PUNCT
iajs-627	55	69	j.	j.	PROPN
iajs-627	55	70	;	;	PUNCT
iajs-627	55	71	dunaway	dunaway	PROPN
iajs-627	55	72	-	-	PUNCT
iajs-627	55	73	maiano	maiano	PROPN
iajs-627	55	74	,	,	PUNCT
iajs-627	55	75	d.	d.	PROPN
iajs-627	55	76	;	;	PUNCT
iajs-627	55	77	guo	guo	PROPN
iajs-627	55	78	,	,	PUNCT
iajs-627	55	79	h.;cui	h.;cui	PROPN
iajs-627	55	80	,	,	PUNCT
iajs-627	55	81	q.	q.	PROPN
iajs-627	55	82	and	and	CCONJ
iajs-627	55	83	gao	gao	PROPN
iajs-627	55	84	,	,	PUNCT
iajs-627	55	85	j.	j.	PROPN
iajs-627	55	86	(	(	PUNCT
iajs-627	55	87	2004)"qm	2004)"qm	ADJ
iajs-627	55	88	/	/	SYM
iajs-627	55	89	mm	mm	ADJ
iajs-627	55	90	studies	study	NOUN
iajs-627	55	91	of	of	ADP
iajs-627	55	92	the	the	DET
iajs-627	55	93	enzyme	enzyme	NOUN
iajs-627	55	94	-	-	PUNCT
iajs-627	55	95	catalysed	catalyse	VERB
iajs-627	55	96	dechlorination	dechlorination	NOUN
iajs-627	55	97	of	of	ADP
iajs-627	55	98	4	4	NUM
iajs-627	55	99	-	-	PUNCT
iajs-627	55	100	chlorobenzoyl	chlorobenzoyl	NOUN
iajs-627	55	101	-	-	PUNCT
iajs-627	55	102	coa	coa	NOUN
iajs-627	55	103	provide	provide	NOUN
iajs-627	55	104	insight	insight	NOUN
iajs-627	55	105	into	into	ADP
iajs-627	55	106	reaction	reaction	NOUN
iajs-627	55	107	energetic	energetic	ADJ
iajs-627	55	108	"	"	PUNCT
iajs-627	55	109	,	,	PUNCT
iajs-627	55	110	j.	j.	PROPN
iajs-627	55	111	amer	amer	PROPN
iajs-627	55	112	.	.	PROPN
iajs-627	55	113	chem	chem	PROPN
iajs-627	55	114	.	.	PUNCT
iajs-627	56	1	soc	soc	PROPN
iajs-627	56	2	.	.	PUNCT
iajs-627	57	1	articles	article	NOUN
iajs-627	57	2	,	,	PUNCT
iajs-627	57	3	126(42	126(42	NUM
iajs-627	57	4	):	):	PUNCT
iajs-627	57	5	1364913658	1364913658	NUM
iajs-627	57	6	4li	4li	ADJ
iajs-627	57	7	,	,	PUNCT
iajs-627	57	8	g.	g.	NOUN
iajs-627	57	9	;	;	PUNCT
iajs-627	57	10	martins	martin	NOUN
iajs-627	57	11	-	-	PUNCT
iajs-627	57	12	costa	costa	NOUN
iajs-627	57	13	,	,	PUNCT
iajs-627	57	14	m.	m.	NOUN
iajs-627	57	15	;	;	PUNCT
iajs-627	57	16	millot	millot	NOUN
iajs-627	57	17	,	,	PUNCT
iajs-627	57	18	c.	c.	PROPN
iajs-627	57	19	and	and	CCONJ
iajs-627	57	20	ruiz	ruiz	NOUN
iajs-627	57	21	-	-	PUNCT
iajs-627	57	22	lópez	lópez	NOUN
iajs-627	57	23	,	,	PUNCT
iajs-627	57	24	m.	m.	NOUN
iajs-627	57	25	(	(	PUNCT
iajs-627	57	26	1998	1998	NUM
iajs-627	57	27	)	)	PUNCT
iajs-627	57	28	"	"	PUNCT
iajs-627	57	29	am1	am1	PROPN
iajs-627	57	30	/	/	SYM
iajs-627	57	31	tip3p	tip3p	NOUN
iajs-627	57	32	molecular	molecular	ADJ
iajs-627	57	33	dynamics	dynamic	NOUN
iajs-627	57	34	simulation	simulation	NOUN
iajs-627	57	35	of	of	ADP
iajs-627	57	36	imidazole	imidazole	NOUN
iajs-627	57	37	proton	proton	NOUN
iajs-627	57	38	-	-	PUNCT
iajs-627	57	39	relay	relay	NOUN
iajs-627	57	40	processes	process	NOUN
iajs-627	57	41	in	in	ADP
iajs-627	57	42	aqueous	aqueous	ADJ
iajs-627	57	43	solution	solution	NOUN
iajs-627	57	44	"	"	PUNCT
iajs-627	57	45	,	,	PUNCT
iajs-627	57	46	chemical	chemical	NOUN
iajs-627	57	47	physics	physics	NOUN
iajs-627	57	48	letters	letter	NOUN
iajs-627	57	49	,	,	PUNCT
iajs-627	57	50	297(1	297(1	NUM
iajs-627	57	51	-	-	SYM
iajs-627	57	52	2	2	NUM
iajs-627	57	53	):	):	PUNCT
iajs-627	57	54	38	38	NUM
iajs-627	57	55	-	-	SYM
iajs-627	57	56	44	44	NUM
iajs-627	57	57	5steed	5steed	NUM
iajs-627	57	58	,	,	PUNCT
iajs-627	57	59	j.	j.	PROPN
iajs-627	57	60	;	;	PUNCT
iajs-627	57	61	turner	turner	PROPN
iajs-627	57	62	,	,	PUNCT
iajs-627	57	63	d.	d.	PROPN
iajs-627	57	64	and	and	CCONJ
iajs-627	57	65	wallace	wallace	PROPN
iajs-627	57	66	,	,	PUNCT
iajs-627	57	67	k.	k.	PROPN
iajs-627	57	68	(	(	PUNCT
iajs-627	57	69	2007	2007	NUM
iajs-627	57	70	)	)	PUNCT
iajs-627	57	71	“	"	PUNCT
iajs-627	57	72	core	core	NOUN
iajs-627	57	73	concepts	concept	NOUN
iajs-627	57	74	in	in	ADP
iajs-627	57	75	supramolecular	supramolecular	ADJ
iajs-627	57	76	chemistry	chemistry	NOUN
iajs-627	57	77	and	and	CCONJ
iajs-627	57	78	nanochemistry	nanochemistry	NOUN
iajs-627	57	79	”	"	PUNCT
iajs-627	57	80	,	,	PUNCT
iajs-627	57	81	first	first	ADJ
iajs-627	57	82	edition	edition	NOUN
iajs-627	57	83	,	,	PUNCT
iajs-627	57	84	wiley	wiley	PROPN
iajs-627	57	85	,	,	PUNCT
iajs-627	57	86	england	england	PROPN
iajs-627	57	87	6schmidt	6schmidt	NUM
iajs-627	57	88	,	,	PUNCT
iajs-627	57	89	j.	j.	PROPN
iajs-627	57	90	;	;	PUNCT
iajs-627	57	91	jiang	jiang	PROPN
iajs-627	57	92	,	,	PUNCT
iajs-627	57	93	x.	x.	NOUN
iajs-627	57	94	and	and	CCONJ
iajs-627	57	95	montemagno	montemagno	NOUN
iajs-627	57	96	,	,	PUNCT
iajs-627	57	97	c.	c.	PROPN
iajs-627	57	98	(	(	PUNCT
iajs-627	57	99	2002)"force	2002)"force	NUM
iajs-627	57	100	tolerances	tolerance	NOUN
iajs-627	57	101	of	of	ADP
iajs-627	57	102	hybrid	hybrid	ADJ
iajs-627	57	103	nanodevices	nanodevice	NOUN
iajs-627	57	104	"	"	PUNCT
iajs-627	57	105	,	,	PUNCT
iajs-627	57	106	nano	nano	NOUN
iajs-627	57	107	lett	lett	NOUN
iajs-627	57	108	.	.	PUNCT
iajs-627	58	1	0(0	0(0	NUM
iajs-627	58	2	):	):	PUNCT
iajs-627	58	3	1	1	NUM
iajs-627	58	4	-	-	SYM
iajs-627	58	5	5	5	NUM
iajs-627	58	6	7sethna	7sethna	NUM
iajs-627	58	7	,	,	PUNCT
iajs-627	58	8	j.	j.	PROPN
iajs-627	58	9	(	(	PUNCT
iajs-627	58	10	2008	2008	NUM
iajs-627	58	11	)	)	PUNCT
iajs-627	58	12	"	"	PUNCT
iajs-627	58	13	entropy	entropy	VERB
iajs-627	58	14	order	order	NOUN
iajs-627	58	15	parameters	parameter	NOUN
iajs-627	58	16	and	and	CCONJ
iajs-627	58	17	complexity	complexity	NOUN
iajs-627	58	18	"	"	PUNCT
iajs-627	58	19	,	,	PUNCT
iajs-627	58	20	second	second	ADJ
iajs-627	58	21	edition	edition	NOUN
iajs-627	58	22	,	,	PUNCT
iajs-627	58	23	oxford	oxford	PROPN
iajs-627	58	24	university	university	PROPN
iajs-627	58	25	press	press	NOUN
iajs-627	58	26	,	,	PUNCT
iajs-627	58	27	india	india	PROPN
iajs-627	58	28	8cramer	8cramer	PROPN
iajs-627	58	29	,	,	PUNCT
iajs-627	58	30	c.	c.	PROPN
iajs-627	58	31	(	(	PUNCT
iajs-627	58	32	2004	2004	NUM
iajs-627	58	33	)	)	PUNCT
iajs-627	58	34	"	"	PUNCT
iajs-627	58	35	essentials	essential	NOUN
iajs-627	58	36	of	of	ADP
iajs-627	58	37	computational	computational	ADJ
iajs-627	58	38	chemistry	chemistry	NOUN
iajs-627	58	39	"	"	PUNCT
iajs-627	58	40	,	,	PUNCT
iajs-627	58	41	second	second	ADJ
iajs-627	58	42	edition	edition	NOUN
iajs-627	58	43	,	,	PUNCT
iajs-627	58	44	john	john	PROPN
iajs-627	58	45	wiley	wiley	PROPN
iajs-627	58	46	&	&	CCONJ
iajs-627	58	47	sons	sons	PROPN
iajs-627	58	48	ltd	ltd	PROPN
iajs-627	58	49	,	,	PUNCT
iajs-627	58	50	minnesota	minnesota	PROPN
iajs-627	58	51	usa	usa	PROPN
iajs-627	58	52	9marquez	9marquez	NUM
iajs-627	58	53	,	,	PUNCT
iajs-627	58	54	a.	a.	NOUN
iajs-627	58	55	and	and	CCONJ
iajs-627	58	56	balbuena	balbuena	PROPN
iajs-627	58	57	,	,	PUNCT
iajs-627	58	58	p.	p.	NOUN
iajs-627	58	59	(	(	PUNCT
iajs-627	58	60	2001)"molecular	2001)"molecular	ADJ
iajs-627	58	61	dynamics	dynamic	NOUN
iajs-627	58	62	study	study	NOUN
iajs-627	58	63	of	of	ADP
iajs-627	58	64	graphite	graphite	NOUN
iajs-627	58	65	/	/	SYM
iajs-627	58	66	electrolyte	electrolyte	NOUN
iajs-627	58	67	interfaces	interface	NOUN
iajs-627	58	68	"	"	PUNCT
iajs-627	58	69	,	,	PUNCT
iajs-627	58	70	j.	j.	PROPN
iajs-627	58	71	electro	electro	PROPN
iajs-627	58	72	.	.	PUNCT
iajs-627	59	1	chem	chem	NOUN
iajs-627	59	2	.	.	PUNCT
iajs-627	60	1	soc	soc	PROPN
iajs-627	60	2	.	.	PUNCT
iajs-627	60	3	,	,	PUNCT
iajs-627	60	4	148(6	148(6	NUM
iajs-627	60	5	):	):	PUNCT
iajs-627	60	6	a624	a624	PROPN
iajs-627	60	7	-	-	PUNCT
iajs-627	60	8	a635	a635	NOUN
iajs-627	60	9	10chandler	10chandler	NUM
iajs-627	60	10	,	,	PUNCT
iajs-627	60	11	d.	d.	PROPN
iajs-627	60	12	(	(	PUNCT
iajs-627	60	13	1987	1987	NUM
iajs-627	60	14	)	)	PUNCT
iajs-627	60	15	"	"	PUNCT
iajs-627	60	16	introduction	introduction	NOUN
iajs-627	60	17	to	to	ADP
iajs-627	60	18	statistical	statistical	ADJ
iajs-627	60	19	mechanics	mechanic	NOUN
iajs-627	60	20	"	"	PUNCT
iajs-627	60	21	,	,	PUNCT
iajs-627	60	22	first	first	PROPN
iajs-627	60	23	edition	edition	NOUN
iajs-627	60	24	,	,	PUNCT
iajs-627	60	25	oxford	oxford	PROPN
iajs-627	60	26	university	university	PROPN
iajs-627	60	27	press	press	NOUN
iajs-627	60	28	,	,	PUNCT
iajs-627	60	29	new	new	PROPN
iajs-627	60	30	york	york	PROPN
iajs-627	60	31	11kanno	11kanno	PROPN
iajs-627	60	32	,	,	PUNCT
iajs-627	60	33	h.	h.	PROPN
iajs-627	60	34	;	;	PUNCT
iajs-627	60	35	yonehama	yonehama	NOUN
iajs-627	60	36	,	,	PUNCT
iajs-627	60	37	k.	k.	PROPN
iajs-627	60	38	;	;	PUNCT
iajs-627	60	39	somraj	somraj	NOUN
iajs-627	60	40	,	,	PUNCT
iajs-627	60	41	a.	a.	NOUN
iajs-627	60	42	and	and	CCONJ
iajs-627	60	43	yoshimura	yoshimura	PROPN
iajs-627	60	44	,	,	PUNCT
iajs-627	60	45	y.	y.	PROPN
iajs-627	60	46	(	(	PUNCT
iajs-627	60	47	2006	2006	NUM
iajs-627	60	48	)	)	PUNCT
iajs-627	60	49	"	"	PUNCT
iajs-627	61	1	structure	structure	NOUN
iajs-627	61	2	-	-	PUNCT
iajs-627	61	3	making	make	VERB
iajs-627	61	4	ions	ion	NOUN
iajs-627	61	5	become	become	VERB
iajs-627	61	6	structure	structure	NOUN
iajs-627	61	7	breakers	breaker	NOUN
iajs-627	61	8	in	in	ADP
iajs-627	61	9	glassy	glassy	NOUN
iajs-627	61	10	aqueous	aqueous	ADJ
iajs-627	61	11	electrolyte	electrolyte	NOUN
iajs-627	61	12	solutions	solution	NOUN
iajs-627	61	13	"	"	PUNCT
iajs-627	61	14	,	,	PUNCT
iajs-627	61	15	chemical	chemical	NOUN
iajs-627	61	16	physics	physics	NOUN
iajs-627	61	17	letters	letter	NOUN
iajs-627	61	18	,	,	PUNCT
iajs-627	61	19	427(1	427(1	NUM
iajs-627	61	20	-	-	SYM
iajs-627	61	21	3	3	NUM
iajs-627	61	22	):	):	PUNCT
iajs-627	61	23	82	82	NUM
iajs-627	61	24	-	-	SYM
iajs-627	61	25	86	86	NUM
iajs-627	61	26	12parmer	12parmer	NUM
iajs-627	61	27	,	,	PUNCT
iajs-627	61	28	m.	m.	NOUN
iajs-627	61	29	;	;	PUNCT
iajs-627	61	30	sharma	sharma	PROPN
iajs-627	61	31	,	,	PUNCT
iajs-627	61	32	p.and	p.and	PROPN
iajs-627	61	33	guleria	guleria	NOUN
iajs-627	61	34	,	,	PUNCT
iajs-627	61	35	m.	m.	NOUN
iajs-627	61	36	(	(	PUNCT
iajs-627	61	37	2009	2009	NUM
iajs-627	61	38	)	)	PUNCT
iajs-627	61	39	"	"	PUNCT
iajs-627	61	40	a	a	DET
iajs-627	61	41	comparative	comparative	ADJ
iajs-627	61	42	study	study	NOUN
iajs-627	61	43	of	of	ADP
iajs-627	61	44	partial	partial	ADJ
iajs-627	61	45	molar	molar	ADJ
iajs-627	61	46	volumes	volume	NOUN
iajs-627	61	47	of	of	ADP
iajs-627	61	48	some	some	DET
iajs-627	61	49	hydrated	hydrated	ADJ
iajs-627	61	50	and	and	CCONJ
iajs-627	61	51	unhydrous	unhydrous	ADJ
iajs-627	61	52	salts	salt	NOUN
iajs-627	61	53	of	of	ADP
iajs-627	61	54	transition	transition	NOUN
iajs-627	61	55	metal	metal	NOUN
iajs-627	61	56	sulphates	sulphate	NOUN
iajs-627	61	57	and	and	CCONJ
iajs-627	61	58	magnesium	magnesium	NOUN
iajs-627	61	59	sulphate	sulphate	NOUN
iajs-627	61	60	in	in	ADP
iajs-627	61	61	water	water	NOUN
iajs-627	61	62	at	at	ADP
iajs-627	61	63	different	different	ADJ
iajs-627	61	64	temperatures	temperature	NOUN
iajs-627	61	65	"	"	PUNCT
iajs-627	61	66	,	,	PUNCT
iajs-627	61	67	indian	indian	ADJ
iajs-627	61	68	journal	journal	NOUN
iajs-627	61	69	of	of	ADP
iajs-627	61	70	chemistry	chemistry	NOUN
iajs-627	61	71	,	,	PUNCT
iajs-627	61	72	48a	48a	NOUN
iajs-627	61	73	:	:	PUNCT
iajs-627	61	74	57	57	NUM
iajs-627	61	75	-	-	SYM
iajs-627	61	76	62	62	NUM
iajs-627	61	77	13	13	NUM
iajs-627	61	78	–	–	PUNCT
iajs-627	61	79	klofutar	klofutar	PROPN
iajs-627	61	80	,	,	PUNCT
iajs-627	61	81	c.	c.	NOUN
iajs-627	61	82	;	;	PUNCT
iajs-627	61	83	horvat	horvat	NOUN
iajs-627	61	84	,	,	PUNCT
iajs-627	61	85	j.	j.	PROPN
iajs-627	61	86	;	;	PUNCT
iajs-627	61	87	bester	bester	NOUN
iajs-627	61	88	-	-	PUNCT
iajs-627	61	89	rogac	rogac	PROPN
iajs-627	61	90	,	,	PUNCT
iajs-627	61	91	m.	m.	NOUN
iajs-627	61	92	and	and	CCONJ
iajs-627	61	93	rudan	rudan	NOUN
iajs-627	61	94	-	-	PUNCT
iajs-627	61	95	tasic	tasic	ADJ
iajs-627	61	96	,	,	PUNCT
iajs-627	61	97	d.	d.	PROPN
iajs-627	61	98	(	(	PUNCT
iajs-627	61	99	2009	2009	NUM
iajs-627	61	100	)	)	PUNCT
iajs-627	61	101	"	"	PUNCT
iajs-627	61	102	viscosity	viscosity	NOUN
iajs-627	61	103	of	of	ADP
iajs-627	61	104	aqueous	aqueous	ADJ
iajs-627	61	105	solutions	solution	NOUN
iajs-627	61	106	of	of	ADP
iajs-627	61	107	tetramethyl-,tetraethyl-	tetramethyl-,tetraethyl-	PROPN
iajs-627	61	108	,	,	PUNCT
iajs-627	61	109	tetra	tetra	NOUN
iajs-627	61	110	-	-	PUNCT
iajs-627	61	111	n	n	CCONJ
iajs-627	61	112	-	-	PUNCT
iajs-627	61	113	propyl-	propyl-	NOUN
iajs-627	61	114	,	,	PUNCT
iajs-627	61	115	tetra	tetra	NOUN
iajs-627	61	116	-	-	PUNCT
iajs-627	61	117	n	n	CCONJ
iajs-627	61	118	-	-	PUNCT
iajs-627	61	119	butyl-	butyl-	NOUN
iajs-627	61	120	,	,	PUNCT
iajs-627	61	121	and	and	CCONJ
iajs-627	61	122	tetran	tetran	NOUN
iajs-627	61	123	-	-	PUNCT
iajs-627	61	124	pentylammonium	pentylammonium	NOUN
iajs-627	61	125	cyclohexylsulfamates	cyclohexylsulfamate	VERB
iajs-627	61	126	from	from	ADP
iajs-627	61	127	293.15	293.15	NUM
iajs-627	61	128	k	k	NOUN
iajs-627	61	129	to	to	ADP
iajs-627	61	130	323.15	323.15	NUM
iajs-627	61	131	k	k	NOUN
iajs-627	61	132	"	"	PUNCT
iajs-627	61	133	,	,	PUNCT
iajs-627	62	1	acta	acta	PROPN
iajs-627	62	2	chim	chim	PROPN
iajs-627	62	3	.	.	PUNCT
iajs-627	62	4	slov	slov	PROPN
iajs-627	62	5	,	,	PUNCT
iajs-627	62	6	56	56	NUM
iajs-627	62	7	:	:	SYM
iajs-627	62	8	188	188	NUM
iajs-627	62	9	-	-	SYM
iajs-627	62	10	195	195	NUM
iajs-627	62	11	14mohammed	14mohammed	NUM
iajs-627	62	12	,	,	PUNCT
iajs-627	62	13	y.	y.	PROPN
iajs-627	62	14	;	;	PUNCT
iajs-627	62	15	naser	naser	PROPN
iajs-627	62	16	,	,	PUNCT
iajs-627	62	17	j.	j.	PROPN
iajs-627	62	18	and	and	CCONJ
iajs-627	62	19	habeeb	habeeb	PROPN
iajs-627	62	20	,	,	PUNCT
iajs-627	62	21	s.	s.	PROPN
iajs-627	62	22	(	(	PUNCT
iajs-627	62	23	2009	2009	NUM
iajs-627	62	24	)	)	PUNCT
iajs-627	62	25	"	"	PUNCT
iajs-627	62	26	volumetric	volumetric	ADJ
iajs-627	62	27	study	study	NOUN
iajs-627	62	28	of	of	ADP
iajs-627	62	29	imidazole	imidazole	NOUN
iajs-627	62	30	in	in	ADP
iajs-627	62	31	aqueous	aqueous	ADJ
iajs-627	62	32	solutions	solution	NOUN
iajs-627	62	33	at	at	ADP
iajs-627	62	34	298.15,303	298.15,303	NUM
iajs-627	62	35	and	and	CCONJ
iajs-627	62	36	308.15	308.15	NUM
iajs-627	62	37	k	k	X
iajs-627	62	38	"	"	PUNCT
iajs-627	62	39	,	,	PUNCT
iajs-627	62	40	diala	diala	PROPN
iajs-627	62	41	jour	jour	PROPN
iajs-627	62	42	.	.	PROPN
iajs-627	62	43	,	,	PUNCT
iajs-627	62	44	37	37	NUM
iajs-627	62	45	:	:	SYM
iajs-627	62	46	407	407	NUM
iajs-627	62	47	-	-	SYM
iajs-627	62	48	417	417	NUM
iajs-627	62	49	table	table	NOUN
iajs-627	62	50	(	(	PUNCT
iajs-627	62	51	1	1	NUM
iajs-627	62	52	):	):	PUNCT
iajs-627	62	53	independent	independent	ADJ
iajs-627	62	54	bond	bond	NOUN
iajs-627	62	55	angle	angle	NOUN
iajs-627	62	56	values	value	NOUN
iajs-627	62	57	angle	angle	NOUN
iajs-627	62	58	value	value	NOUN
iajs-627	62	59	(	(	PUNCT
iajs-627	62	60	degree	degree	NOUN
iajs-627	62	61	.	.	PUNCT
iajs-627	62	62	)	)	PUNCT
iajs-627	63	1	3	3	NUM
iajs-627	63	2	-	-	SYM
iajs-627	63	3	2	2	NUM
iajs-627	63	4	-	-	SYM
iajs-627	63	5	1	1	NUM
iajs-627	63	6	108.89	108.89	NUM
iajs-627	63	7	4	4	NUM
iajs-627	63	8	-	-	SYM
iajs-627	63	9	5	5	NUM
iajs-627	63	10	-	-	SYM
iajs-627	63	11	3	3	NUM
iajs-627	63	12	108.95	108.95	NUM
iajs-627	63	13	2	2	NUM
iajs-627	63	14	-	-	SYM
iajs-627	63	15	1	1	NUM
iajs-627	63	16	-	-	SYM
iajs-627	63	17	4	4	NUM
iajs-627	63	18	108.76	108.76	NUM
iajs-627	63	19	7	7	NUM
iajs-627	63	20	-	-	SYM
iajs-627	63	21	3	3	NUM
iajs-627	63	22	-	-	SYM
iajs-627	63	23	5	5	NUM
iajs-627	63	24	126.83	126.83	NUM
iajs-627	63	25	http://www.sciencedirect.com/science/journal/00092614	http://www.sciencedirect.com/science/journal/00092614	X
iajs-627	63	26	http://www.sciencedirect.com/science/journal/00092614	http://www.sciencedirect.com/science/journal/00092614	X
iajs-627	63	27	http://www.sciencedirect.com/science/journal/00092614	http://www.sciencedirect.com/science/journal/00092614	X
iajs-627	63	28	http://www.sciencedirect.com/science/journal/00092614	http://www.sciencedirect.com/science/journal/00092614	X
iajs-627	63	29	265	265	NUM
iajs-627	63	30	مجلة	مجلة	NOUN
iajs-627	63	31	إبن	إبن	VERB
iajs-627	63	32	الهيثم	الهيثم	ADJ
iajs-627	63	33	للعلوم	للعلوم	NOUN
iajs-627	63	34	الصرفة	الصرفة	NOUN
iajs-627	64	1	و	و	PRON
iajs-627	64	2	التطبيقية	التطبيقية	ADJ
iajs-627	64	3	2012	2012	NUM
iajs-627	64	4	السنة	السنة	NOUN
iajs-627	64	5	25	25	NUM
iajs-627	65	1	المجلد	المجلد	NOUN
iajs-627	66	1	1	1	NUM
iajs-627	67	1	العدد	العدد	PROPN
iajs-627	67	2	ibn	ibn	PROPN
iajs-627	67	3	al	al	PROPN
iajs-627	67	4	-	-	PUNCT
iajs-627	67	5	haitham	haitham	PROPN
iajs-627	67	6	journal	journal	PROPN
iajs-627	67	7	for	for	ADP
iajs-627	67	8	pure	pure	ADJ
iajs-627	67	9	and	and	CCONJ
iajs-627	67	10	applied	apply	VERB
iajs-627	67	11	science	science	NOUN
iajs-627	67	12	no	no	NOUN
iajs-627	67	13	.	.	NOUN
iajs-627	67	14	1	1	NUM
iajs-627	67	15	vol	vol	NOUN
iajs-627	67	16	.	.	PUNCT
iajs-627	68	1	25	25	NUM
iajs-627	68	2	year	year	NOUN
iajs-627	68	3	2012	2012	NUM
iajs-627	68	4	table	table	NOUN
iajs-627	68	5	(	(	PUNCT
iajs-627	68	6	2	2	NUM
iajs-627	68	7	):	):	PUNCT
iajs-627	68	8	the	the	DET
iajs-627	68	9	value	value	NOUN
iajs-627	68	10	of	of	ADP
iajs-627	68	11	temperature	temperature	NOUN
iajs-627	68	12	average	average	NOUN
iajs-627	68	13	of	of	ADP
iajs-627	68	14	simulation	simulation	NOUN
iajs-627	68	15	n	n	CCONJ
iajs-627	68	16	n	n	PROPN
iajs-627	68	17	h	h	NOUN
iajs-627	68	18	h	h	NOUN
iajs-627	68	19	h	h	NOUN
iajs-627	68	20	h	h	NOUN
iajs-627	69	1	9	9	NUM
iajs-627	69	2	5	5	NUM
iajs-627	69	3	7	7	NUM
iajs-627	69	4	3	3	NUM
iajs-627	69	5	8	8	NUM
iajs-627	69	6	4	4	NUM
iajs-627	69	7	2	2	NUM
iajs-627	69	8	1	1	NUM
iajs-627	69	9	6	6	NUM
iajs-627	69	10	n	n	NUM
iajs-627	69	11	n	n	PRON
iajs-627	69	12	h	h	NOUN
iajs-627	69	13	h	h	NOUN
iajs-627	70	1	h	h	NOUN
iajs-627	71	1	h	h	VERB
iajs-627	71	2	0.90657	0.90657	NUM
iajs-627	71	3	1.0923	1.0923	NUM
iajs-627	71	4	1.0887	1.0887	NUM
iajs-627	71	5	1.0885	1.0885	NUM
iajs-627	71	6	1.3931	1.3931	NUM
iajs-627	71	7	1.4026	1.4026	NUM
iajs-627	71	8	1.3849	1.3849	NUM
iajs-627	71	9	1.3929	1.3929	NUM
iajs-627	71	10	1.3481	1.3481	NUM
iajs-627	71	11	(	(	PUNCT
iajs-627	71	12	a	a	NOUN
iajs-627	71	13	)	)	PUNCT
iajs-627	71	14	(	(	PUNCT
iajs-627	71	15	b	b	X
iajs-627	71	16	)	)	PUNCT
iajs-627	71	17	fig	fig	NOUN
iajs-627	71	18	.	.	PUNCT
iajs-627	72	1	(	(	PUNCT
iajs-627	72	2	1	1	NUM
iajs-627	72	3	):	):	PUNCT
iajs-627	72	4	(	(	PUNCT
iajs-627	72	5	a	a	X
iajs-627	72	6	)	)	PUNCT
iajs-627	72	7	the	the	DET
iajs-627	72	8	number	number	NOUN
iajs-627	72	9	labeling	labeling	NOUN
iajs-627	72	10	of	of	ADP
iajs-627	72	11	the	the	DET
iajs-627	72	12	molecule	molecule	NOUN
iajs-627	72	13	(	(	PUNCT
iajs-627	72	14	b	b	NOUN
iajs-627	72	15	)	)	PUNCT
iajs-627	72	16	the	the	DET
iajs-627	72	17	values	value	NOUN
iajs-627	72	18	of	of	ADP
iajs-627	72	19	bond	bond	NOUN
iajs-627	72	20	lengths	length	NOUN
iajs-627	72	21	of	of	ADP
iajs-627	72	22	imidazole	imidazole	NOUN
iajs-627	72	23	a0	a0	PROPN
iajs-627	72	24	9	9	NUM
iajs-627	72	25	-	-	SYM
iajs-627	72	26	5	5	NUM
iajs-627	72	27	-	-	SYM
iajs-627	72	28	4	4	NUM
iajs-627	72	29	125.05	125.05	NUM
iajs-627	72	30	8	8	NUM
iajs-627	72	31	-	-	SYM
iajs-627	72	32	4	4	NUM
iajs-627	72	33	-	-	SYM
iajs-627	72	34	1	1	NUM
iajs-627	72	35	130.28	130.28	NUM
iajs-627	72	36	6	6	NUM
iajs-627	72	37	-	-	SYM
iajs-627	72	38	1	1	NUM
iajs-627	72	39	-	-	SYM
iajs-627	72	40	2	2	NUM
iajs-627	72	41	121.56	121.56	NUM
iajs-627	72	42	t	t	NOUN
iajs-627	72	43	(	(	PUNCT
iajs-627	72	44	simulation)/k	simulation)/k	PROPN
iajs-627	72	45	t(average)/k	t(average)/k	NOUN
iajs-627	72	46	298.15	298.15	NUM
iajs-627	73	1	299.25	299.25	NUM
iajs-627	73	2	303.15	303.15	NUM
iajs-627	73	3	302.15	302.15	NUM
iajs-627	73	4	308.15	308.15	NUM
iajs-627	73	5	308.56	308.56	NUM
iajs-627	73	6	266	266	NUM
iajs-627	73	7	مجلة	مجلة	ADJ
iajs-627	73	8	إبن	إبن	NOUN
iajs-627	73	9	الهيثم	الهيثم	ADJ
iajs-627	73	10	للعلوم	للعلوم	NOUN
iajs-627	73	11	الصرفة	الصرفة	NOUN
iajs-627	73	12	و	و	PRON
iajs-627	73	13	التطبيقية	التطبيقية	ADJ
iajs-627	73	14	2012	2012	NUM
iajs-627	73	15	السنة	السنة	NOUN
iajs-627	73	16	25	25	NUM
iajs-627	73	17	المجلد	المجلد	NOUN
iajs-627	73	18	1	1	NUM
iajs-627	73	19	العدد	العدد	PROPN
iajs-627	73	20	ibn	ibn	PROPN
iajs-627	73	21	al	al	PROPN
iajs-627	73	22	-	-	PUNCT
iajs-627	73	23	haitham	haitham	PROPN
iajs-627	73	24	journal	journal	PROPN
iajs-627	73	25	for	for	ADP
iajs-627	73	26	pure	pure	ADJ
iajs-627	73	27	and	and	CCONJ
iajs-627	73	28	applied	apply	VERB
iajs-627	73	29	science	science	NOUN
iajs-627	73	30	no	no	NOUN
iajs-627	73	31	.	.	NOUN
iajs-627	73	32	1	1	NUM
iajs-627	73	33	vol	vol	NOUN
iajs-627	73	34	.	.	PUNCT
iajs-627	74	1	25	25	NUM
iajs-627	74	2	year	year	NOUN
iajs-627	74	3	2012	2012	NUM
iajs-627	74	4	n	n	CCONJ
iajs-627	74	5	n	n	PRON
iajs-627	74	6	h	h	NOUN
iajs-627	74	7	h	h	NOUN
iajs-627	74	8	h	h	NOUN
iajs-627	74	9	h	h	PROPN
iajs-627	74	10	0.071	0.071	NUM
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iajs-627	74	12	0.163	0.163	NUM
iajs-627	74	13	-0.257	-0.257	NOUN
iajs-627	74	14	0.152	0.152	NUM
iajs-627	74	15	-0.329	-0.329	NUM
iajs-627	74	16	-0.118	-0.118	X
iajs-627	74	17	-0.134	-0.134	NUM
iajs-627	74	18	0.141	0.141	NUM
iajs-627	74	19	fig	fig	NOUN
iajs-627	74	20	.	.	PUNCT
iajs-627	75	1	(	(	PUNCT
iajs-627	75	2	2	2	NUM
iajs-627	75	3	):	):	PUNCT
iajs-627	75	4	charge	charge	NOUN
iajs-627	75	5	distribution	distribution	NOUN
iajs-627	75	6	on	on	ADP
iajs-627	75	7	imidazole	imidazole	NOUN
iajs-627	75	8	atoms	atom	NOUN
iajs-627	75	9	fig	fig	NOUN
iajs-627	75	10	.	.	PUNCT
iajs-627	76	1	(	(	PUNCT
iajs-627	76	2	3	3	NUM
iajs-627	76	3	):	):	PUNCT
iajs-627	76	4	temperature	temperature	NOUN
iajs-627	76	5	simulation	simulation	NOUN
iajs-627	76	6	histogram	histogram	NOUN
iajs-627	76	7	at	at	ADP
iajs-627	76	8	298.15k	298.15k	NUM
iajs-627	76	9	fig	fig	NOUN
iajs-627	76	10	.	.	PUNCT
iajs-627	77	1	(	(	PUNCT
iajs-627	77	2	4	4	NUM
iajs-627	77	3	):	):	PUNCT
iajs-627	77	4	temperature	temperature	NOUN
iajs-627	77	5	simulation	simulation	NOUN
iajs-627	77	6	histogram	histogram	NOUN
iajs-627	77	7	at	at	ADP
iajs-627	77	8	303.15k	303.15k	NUM
iajs-627	77	9	267	267	NUM
iajs-627	77	10	مجلة	مجلة	NOUN
iajs-627	77	11	إبن	إبن	VERB
iajs-627	77	12	الهيثم	الهيثم	ADJ
iajs-627	77	13	للعلوم	للعلوم	NOUN
iajs-627	77	14	الصرفة	الصرفة	NOUN
iajs-627	78	1	و	و	PRON
iajs-627	78	2	التطبيقية	التطبيقية	ADJ
iajs-627	78	3	2012	2012	NUM
iajs-627	78	4	السنة	السنة	NOUN
iajs-627	78	5	25	25	NUM
iajs-627	79	1	المجلد	المجلد	NOUN
iajs-627	80	1	1	1	NUM
iajs-627	81	1	العدد	العدد	PROPN
iajs-627	81	2	ibn	ibn	PROPN
iajs-627	81	3	al	al	PROPN
iajs-627	81	4	-	-	PUNCT
iajs-627	81	5	haitham	haitham	PROPN
iajs-627	81	6	journal	journal	PROPN
iajs-627	81	7	for	for	ADP
iajs-627	81	8	pure	pure	ADJ
iajs-627	81	9	and	and	CCONJ
iajs-627	81	10	applied	apply	VERB
iajs-627	81	11	science	science	NOUN
iajs-627	81	12	no	no	NOUN
iajs-627	81	13	.	.	NOUN
iajs-627	81	14	1	1	NUM
iajs-627	81	15	vol	vol	NOUN
iajs-627	81	16	.	.	PUNCT
iajs-627	82	1	25	25	NUM
iajs-627	82	2	year	year	NOUN
iajs-627	82	3	2012	2012	NUM
iajs-627	82	4	fig	fig	NOUN
iajs-627	82	5	.	.	PUNCT
iajs-627	83	1	(	(	PUNCT
iajs-627	83	2	5	5	NUM
iajs-627	83	3	):	):	PUNCT
iajs-627	83	4	temperature	temperature	NOUN
iajs-627	83	5	simulation	simulation	NOUN
iajs-627	83	6	histogram	histogram	NOUN
iajs-627	83	7	at	at	ADP
iajs-627	83	8	308.15k	308.15k	NUM
iajs-627	83	9	fig	fig	NOUN
iajs-627	83	10	.	.	PUNCT
iajs-627	84	1	(	(	PUNCT
iajs-627	84	2	6	6	NUM
iajs-627	84	3	):	):	PUNCT
iajs-627	84	4	rdf	rdf	NOUN
iajs-627	84	5	of	of	ADP
iajs-627	84	6	n	n	CCONJ
iajs-627	84	7	-	-	PUNCT
iajs-627	84	8	h	h	NOUN
iajs-627	84	9	…	…	PUNCT
iajs-627	84	10	…	…	SYM
iajs-627	84	11	oh2	oh2	NOUN
iajs-627	84	12	interaction	interaction	NOUN
iajs-627	84	13	at	at	ADP
iajs-627	84	14	298.15k	298.15k	NUM
iajs-627	84	15	fig	fig	NOUN
iajs-627	84	16	.	.	PUNCT
iajs-627	85	1	(	(	PUNCT
iajs-627	85	2	7	7	NUM
iajs-627	85	3	):	):	PUNCT
iajs-627	85	4	rdf	rdf	NOUN
iajs-627	85	5	of	of	ADP
iajs-627	85	6	n	n	CCONJ
iajs-627	85	7	…	…	PUNCT
iajs-627	85	8	…	…	PUNCT
iajs-627	85	9	hoh	hoh	VERB
iajs-627	85	10	interaction	interaction	NOUN
iajs-627	85	11	at	at	ADP
iajs-627	85	12	298.15k	298.15k	NUM
iajs-627	85	13	fig	fig	NOUN
iajs-627	85	14	.	.	PUNCT
iajs-627	86	1	(	(	PUNCT
iajs-627	86	2	8)	8)	NUM
iajs-627	86	3	:	:	PUNCT
iajs-627	86	4	rdf	rdf	NOUN
iajs-627	86	5	of	of	ADP
iajs-627	86	6	n	n	CCONJ
iajs-627	86	7	-	-	PUNCT
iajs-627	86	8	h	h	NOUN
iajs-627	86	9	…	…	PUNCT
iajs-627	86	10	…	…	SYM
iajs-627	86	11	oh2	oh2	NOUN
iajs-627	86	12	interaction	interaction	NOUN
iajs-627	86	13	at	at	ADP
iajs-627	86	14	303.15k	303.15k	NUM
iajs-627	86	15	268	268	NUM
iajs-627	86	16	مجلة	مجلة	NOUN
iajs-627	86	17	إبن	إبن	VERB
iajs-627	86	18	الهيثم	الهيثم	ADJ
iajs-627	86	19	للعلوم	للعلوم	NOUN
iajs-627	86	20	الصرفة	الصرفة	NOUN
iajs-627	86	21	و	و	PRON
iajs-627	86	22	التطبيقية	التطبيقية	ADJ
iajs-627	86	23	2012	2012	NUM
iajs-627	86	24	السنة	السنة	NOUN
iajs-627	87	1	25	25	NUM
iajs-627	87	2	المجلد	المجلد	NOUN
iajs-627	87	3	1	1	NUM
iajs-627	87	4	العدد	العدد	PROPN
iajs-627	87	5	ibn	ibn	PROPN
iajs-627	87	6	al	al	PROPN
iajs-627	87	7	-	-	PUNCT
iajs-627	87	8	haitham	haitham	PROPN
iajs-627	87	9	journal	journal	PROPN
iajs-627	87	10	for	for	ADP
iajs-627	87	11	pure	pure	ADJ
iajs-627	87	12	and	and	CCONJ
iajs-627	87	13	applied	apply	VERB
iajs-627	87	14	science	science	NOUN
iajs-627	87	15	no	no	NOUN
iajs-627	87	16	.	.	NOUN
iajs-627	87	17	1	1	NUM
iajs-627	87	18	vol	vol	NOUN
iajs-627	87	19	.	.	PUNCT
iajs-627	88	1	25	25	NUM
iajs-627	88	2	year	year	NOUN
iajs-627	88	3	2012	2012	NUM
iajs-627	88	4	fig	fig	NOUN
iajs-627	88	5	.	.	PUNCT
iajs-627	89	1	(	(	PUNCT
iajs-627	89	2	9	9	NUM
iajs-627	89	3	):	):	PUNCT
iajs-627	89	4	rdf	rdf	NOUN
iajs-627	89	5	of	of	ADP
iajs-627	89	6	n	n	CCONJ
iajs-627	89	7	…	…	PUNCT
iajs-627	89	8	…	…	PUNCT
iajs-627	89	9	hoh	hoh	VERB
iajs-627	89	10	interaction	interaction	NOUN
iajs-627	89	11	at	at	ADP
iajs-627	89	12	303.15k	303.15k	NUM
iajs-627	89	13	fig	fig	NOUN
iajs-627	89	14	.	.	PUNCT
iajs-627	90	1	(	(	PUNCT
iajs-627	90	2	10	10	NUM
iajs-627	90	3	):	):	PUNCT
iajs-627	90	4	rdf	rdf	NOUN
iajs-627	90	5	of	of	ADP
iajs-627	90	6	n	n	CCONJ
iajs-627	90	7	-	-	PUNCT
iajs-627	90	8	h	h	NOUN
iajs-627	90	9	…	…	PUNCT
iajs-627	90	10	…	…	SYM
iajs-627	90	11	oh2	oh2	NOUN
iajs-627	90	12	interaction	interaction	NOUN
iajs-627	90	13	at	at	ADP
iajs-627	90	14	308.15k	308.15k	NUM
iajs-627	90	15	fig	fig	NOUN
iajs-627	90	16	.	.	PUNCT
iajs-627	91	1	(	(	PUNCT
iajs-627	91	2	11	11	NUM
iajs-627	91	3	):	):	PUNCT
iajs-627	91	4	rdf	rdf	NOUN
iajs-627	91	5	of	of	ADP
iajs-627	91	6	n	n	CCONJ
iajs-627	91	7	…	…	PUNCT
iajs-627	91	8	…	…	PUNCT
iajs-627	91	9	hoh	hoh	VERB
iajs-627	91	10	interaction	interaction	NOUN
iajs-627	91	11	at	at	ADP
iajs-627	91	12	308.15k	308.15k	PROPN
iajs-627	91	13	269	269	NUM
iajs-627	91	14	مجلة	مجلة	NOUN
iajs-627	91	15	إبن	إبن	VERB
iajs-627	91	16	الهيثم	الهيثم	ADJ
iajs-627	91	17	للعلوم	للعلوم	NOUN
iajs-627	91	18	الصرفة	الصرفة	NOUN
iajs-627	92	1	و	و	PRON
iajs-627	92	2	التطبيقية	التطبيقية	ADJ
iajs-627	92	3	2012	2012	NUM
iajs-627	92	4	السنة	السنة	NOUN
iajs-627	92	5	25	25	NUM
iajs-627	93	1	المجلد	المجلد	NOUN
iajs-627	94	1	1	1	NUM
iajs-627	95	1	العدد	العدد	PROPN
iajs-627	95	2	ibn	ibn	PROPN
iajs-627	95	3	al	al	PROPN
iajs-627	95	4	-	-	PUNCT
iajs-627	95	5	haitham	haitham	PROPN
iajs-627	95	6	journal	journal	PROPN
iajs-627	95	7	for	for	ADP
iajs-627	95	8	pure	pure	ADJ
iajs-627	95	9	and	and	CCONJ
iajs-627	95	10	applied	apply	VERB
iajs-627	95	11	science	science	NOUN
iajs-627	95	12	no	no	NOUN
iajs-627	95	13	.	.	NOUN
iajs-627	95	14	1	1	NUM
iajs-627	95	15	vol	vol	NOUN
iajs-627	95	16	.	.	PUNCT
iajs-627	96	1	25	25	NUM
iajs-627	96	2	year	year	NOUN
iajs-627	96	3	2012	2012	NUM
iajs-627	96	4	محاكاة	محاكاة	PROPN
iajs-627	96	5	الديناميك	الديناميك	PROPN
iajs-627	96	6	الجزيئي	الجزيئي	PROPN
iajs-627	96	7	للمحلول	للمحلول	PROPN
iajs-627	96	8	المائي	المائي	PROPN
iajs-627	96	9	لالميدازول	لالميدازول	VERB
iajs-627	96	10	في	في	DET
iajs-627	96	11	درجات	درجات	NOUN
iajs-627	96	12	مطلقة	مطلقة	NOUN
iajs-627	96	13	)	)	PUNCT
iajs-627	96	14	308.15	308.15	NUM
iajs-627	96	15	و	و	PRON
iajs-627	96	16	298.15	298.15	NUM
iajs-627	96	17	,	,	PUNCT
iajs-627	96	18	303.15حرارة	303.15حرارة	NUM
iajs-627	96	19	(	(	PUNCT
iajs-627	96	20	يوسف	يوسف	PROPN
iajs-627	96	21	ابراهيم	ابراهيم	VERB
iajs-627	96	22	محمد	محمد	PROPN
iajs-627	96	23	قسم	قسم	PROPN
iajs-627	96	24	الكيمياء	الكيمياء	PROPN
iajs-627	96	25	،	،	PROPN
iajs-627	96	26	كلية	كلية	PROPN
iajs-627	96	27	التربية	التربية	PROPN
iajs-627	96	28	ابن	ابن	PROPN
iajs-627	96	29	الهيثم	الهيثم	PROPN
iajs-627	96	30	،	،	PROPN
iajs-627	96	31	جامعة	جامعة	PROPN
iajs-627	96	32	بغداد	بغداد	PROPN
iajs-627	96	33	2011الثاني	2011الثاني	PROPN
iajs-627	96	34	تشرين	تشرين	PROPN
iajs-627	96	35	16قبل	16قبل	PROPN
iajs-627	96	36	البحث	البحث	NOUN
iajs-627	96	37	في	في	ADP
iajs-627	96	38	2011حزيران	2011حزيران	NUM
iajs-627	96	39	21استلم	21استلم	NUM
iajs-627	96	40	البحث	البحث	NOUN
iajs-627	96	41	في	في	ADP
iajs-627	96	42	الخالصة	الخالصة	PROPN
iajs-627	96	43	308.15و	308.15و	NUM
iajs-627	96	44	298.15	298.15	NUM
iajs-627	96	45	,	,	PUNCT
iajs-627	96	46	303.15اجريت	303.15اجريت	NUM
iajs-627	96	47	محاكة	محاكة	NOUN
iajs-627	96	48	الديناميك	الديناميك	PROPN
iajs-627	96	49	الجزيئي	الجزيئي	PROPN
iajs-627	96	50	للمحلول	للمحلول	PROPN
iajs-627	97	1	المائي	المائي	PROPN
iajs-627	97	2	لالميدازول	لالميدازول	VERB
iajs-627	97	3	في	في	DET
iajs-627	97	4	درجات	درجات	NOUN
iajs-627	97	5	حرارة	حرارة	NOUN
iajs-627	97	6	(	(	PUNCT
iajs-627	97	7	و	و	NOUN
iajs-627	97	8	n	n	CCONJ
iajs-627	97	9	-	-	PUNCT
iajs-627	97	10	h	h	NOUN
iajs-627	97	11	…	…	PUNCT
iajs-627	97	12	oh2	oh2	NOUN
iajs-627	97	13	.	.	PUNCT
iajs-627	98	1	من	من	PROPN
iajs-627	98	2	هذه	هذه	PROPN
iajs-627	98	3	المحاكة	المحاكة	PROPN
iajs-627	98	4	حسبت	حسبت	PROPN
iajs-627	98	5	دالة	دالة	PROPN
iajs-627	98	6	التوزيع	التوزيع	PROPN
iajs-627	98	7	القطري	القطري	PROPN
iajs-627	98	8	للتداخل	للتداخل	PROPN
iajs-627	98	9	الجزيئي	الجزيئي	PROPN
iajs-627	98	10	oplsدرجة	oplsدرجة	PROPN
iajs-627	98	11	مطلقة	مطلقة	PROPN
iajs-627	98	12	باستعمال	باستعمال	PROPN
iajs-627	98	13	مجال	مجال	X
iajs-627	98	14	قوة	قوة	NUM
iajs-627	98	15	اذ	اذ	PROPN
iajs-627	98	16	تضمحل	تضمحل	PROPN
iajs-627	98	17	هذه	هذه	PROPN
iajs-627	98	18	الطبقة	الطبقة	PROPN
iajs-627	98	19	5a0تقع	5a0تقع	PROPN
iajs-627	98	20	على	على	PROPN
iajs-627	98	21	بعد	بعد	PROPN
iajs-627	98	22	n	n	CCONJ
iajs-627	98	23	-	-	PUNCT
iajs-627	98	24	hوقد	hوقد	NOUN
iajs-627	98	25	بينت	بينت	NOUN
iajs-627	98	26	النتائج	النتائج	NOUN
iajs-627	98	27	ان	ان	ADP
iajs-627	98	28	طبقة	طبقة	PROPN
iajs-627	98	29	التميؤالرئيسة	التميؤالرئيسة	PROPN
iajs-627	98	30	حول	حول	PROPN
iajs-627	98	31	الموقع	الموقع	PROPN
iajs-627	98	32	n	n	CCONJ
iajs-627	98	33	…	…	PUNCT
iajs-627	98	34	hohكذلك	hohكذلك	PROPN
iajs-627	98	35	يمتلك	يمتلك	PROPN
iajs-627	98	36	طبقتي	طبقتي	PROPN
iajs-627	98	37	تميؤ	تميؤ	ADJ
iajs-627	98	38	مستقرتين	مستقرتين	PROPN
iajs-627	98	39	عند	عند	PROPN
iajs-627	98	40	n.	n.	PROPN
iajs-627	98	41	كذلك	كذلك	PROPN
iajs-627	98	42	فان	فان	PROPN
iajs-627	98	43	موقع	موقع	PROPN
iajs-627	98	44	التداخل	التداخل	VERB
iajs-627	98	45	10a0بزيادة	10a0بزيادة	PROPN
iajs-627	98	46	درجة	درجة	ADJ
iajs-627	98	47	الحرارة	الحرارة	NOUN
iajs-627	98	48	لتشكل	لتشكل	PROPN
iajs-627	98	49	طبقة	طبقة	PROPN
iajs-627	98	50	تميؤ	تميؤ	ADJ
iajs-627	98	51	جديدة	جديدة	NOUN
iajs-627	98	52	عند	عند	PROPN
iajs-627	98	53	4a0	4a0	NUM
iajs-627	98	54	6وa0	6وa0	NUM
iajs-627	98	55	اء	اء	PROPN
iajs-627	98	56	يكون	يكون	VERB
iajs-627	98	57	متغيرا	متغيرا	PROPN
iajs-627	98	58	بتغير	بتغير	ADV
iajs-627	98	59	درجة	درجة	ADJ
iajs-627	98	60	الحرارة	الحرارة	NOUN
iajs-627	98	61	والسيما	والسيما	NOUN
iajs-627	98	62	للطبقة	للطبقة	NOUN
iajs-627	98	63	في	في	ADP
iajs-627	98	64	هذا	هذا	ADJ
iajs-627	98	65	المدى	المدى	NOUN
iajs-627	98	66	الحراري	الحراري	NOUN
iajs-627	98	67	ولكن	ولكن	PROPN
iajs-627	99	1	انتظام	انتظام	ADJ
iajs-627	99	2	وعدد	وعدد	PROPN
iajs-627	99	3	جزيئات	جزيئات	PROPN
iajs-627	99	4	الم	الم	VERB
iajs-627	99	5	4a0	4a0	NUM
iajs-627	99	6	.	.	PUNCT
iajs-627	100	1	:	:	PUNCT
iajs-627	100	2	اميدازول	اميدازول	PROPN
iajs-627	100	3	،	،	PROPN
iajs-627	100	4	ديناميك	ديناميك	PROPN
iajs-627	100	5	جزيئي	جزيئي	PROPN
iajs-627	100	6	،	،	PROPN
iajs-627	100	7	محاكاة	محاكاة	PROPN
iajs-627	100	8	التداخلالكلمات	التداخلالكلمات	VERB
iajs-627	100	9	المفتاحية	المفتاحية	NOUN