id	sid	tid	token	lemma	pos
eurjchem-1781	1	1	theoretical	theoretical	ADJ
eurjchem-1781	1	2	calculation	calculation	NOUN
eurjchem-1781	1	3	of	of	ADP
eurjchem-1781	1	4	the	the	DET
eurjchem-1781	1	5	exchange	exchange	NOUN
eurjchem-1781	1	6	coupling	couple	VERB
eurjchem-1781	1	7	constant	constant	ADJ
eurjchem-1781	1	8	in	in	ADP
eurjchem-1781	1	9	some	some	DET
eurjchem-1781	1	10	polymeric	polymeric	ADJ
eurjchem-1781	1	11	nickel(ii	nickel(ii	NOUN
eurjchem-1781	1	12	)	)	PUNCT
eurjchem-1781	1	13	complexes	complex	NOUN
eurjchem-1781	1	14	using	use	VERB
eurjchem-1781	1	15	range	range	NOUN
eurjchem-1781	1	16	-	-	PUNCT
eurjchem-1781	1	17	separated	separate	VERB
eurjchem-1781	1	18	functionals	functional	NOUN
eurjchem-1781	1	19	european	european	PROPN
eurjchem-1781	1	20	journal	journal	PROPN
eurjchem-1781	1	21	of	of	ADP
eurjchem-1781	1	22	chemistry	chemistry	NOUN
eurjchem-1781	1	23	9	9	NUM
eurjchem-1781	1	24	(	(	PUNCT
eurjchem-1781	1	25	4	4	NUM
eurjchem-1781	1	26	)	)	PUNCT
eurjchem-1781	1	27	(	(	PUNCT
eurjchem-1781	1	28	2018	2018	NUM
eurjchem-1781	1	29	)	)	PUNCT
eurjchem-1781	1	30	382	382	NUM
eurjchem-1781	1	31	-	-	SYM
eurjchem-1781	1	32	385	385	NUM
eurjchem-1781	1	33	european	european	PROPN
eurjchem-1781	1	34	journal	journal	PROPN
eurjchem-1781	1	35	of	of	ADP
eurjchem-1781	1	36	chemistry	chemistry	NOUN
eurjchem-1781	1	37	view	view	NOUN
eurjchem-1781	1	38	journal	journal	PROPN
eurjchem-1781	1	39	online	online	PROPN
eurjchem-1781	1	40	view	view	NOUN
eurjchem-1781	1	41	article	article	NOUN
eurjchem-1781	1	42	online	online	ADJ
eurjchem-1781	1	43	theoretical	theoretical	ADJ
eurjchem-1781	1	44	calculation	calculation	NOUN
eurjchem-1781	1	45	of	of	ADP
eurjchem-1781	1	46	the	the	DET
eurjchem-1781	1	47	exchange	exchange	NOUN
eurjchem-1781	1	48	coupling	couple	VERB
eurjchem-1781	1	49	constant	constant	ADJ
eurjchem-1781	1	50	in	in	ADP
eurjchem-1781	1	51	some	some	DET
eurjchem-1781	1	52	polymeric	polymeric	ADJ
eurjchem-1781	1	53	nickel(ii	nickel(ii	NOUN
eurjchem-1781	1	54	)	)	PUNCT
eurjchem-1781	1	55	complexes	complex	NOUN
eurjchem-1781	1	56	using	use	VERB
eurjchem-1781	1	57	range	range	NOUN
eurjchem-1781	1	58	-	-	PUNCT
eurjchem-1781	1	59	separated	separate	VERB
eurjchem-1781	1	60	functionals	functional	NOUN
eurjchem-1781	1	61	mohamed	mohamed	PROPN
eurjchem-1781	1	62	abdalla	abdalla	PROPN
eurjchem-1781	1	63	makhyoun	makhyoun	PROPN
eurjchem-1781	1	64	*	*	PUNCT
eurjchem-1781	1	65	and	and	CCONJ
eurjchem-1781	1	66	raghdaa	raghdaa	PROPN
eurjchem-1781	1	67	adel	adel	PROPN
eurjchem-1781	1	68	massoud	massoud	PROPN
eurjchem-1781	1	69	chemistry	chemistry	PROPN
eurjchem-1781	1	70	department	department	PROPN
eurjchem-1781	1	71	,	,	PUNCT
eurjchem-1781	1	72	faculty	faculty	NOUN
eurjchem-1781	1	73	of	of	ADP
eurjchem-1781	1	74	science	science	NOUN
eurjchem-1781	1	75	,	,	PUNCT
eurjchem-1781	1	76	alexandria	alexandria	PROPN
eurjchem-1781	1	77	university	university	PROPN
eurjchem-1781	1	78	,	,	PUNCT
eurjchem-1781	1	79	21525	21525	NUM
eurjchem-1781	1	80	alexandria	alexandria	PROPN
eurjchem-1781	1	81	,	,	PUNCT
eurjchem-1781	1	82	egypt	egypt	PROPN
eurjchem-1781	1	83	makhyoun2@yahoo.com	makhyoun2@yahoo.com	PROPN
eurjchem-1781	1	84	(	(	PUNCT
eurjchem-1781	1	85	m.a.m	m.a.m	ADJ
eurjchem-1781	1	86	.	.	PUNCT
eurjchem-1781	1	87	)	)	PUNCT
eurjchem-1781	1	88	,	,	PUNCT
eurjchem-1781	2	1	raghdaamassoud@yahoo.com	raghdaamassoud@yahoo.com	X
eurjchem-1781	2	2	(	(	PUNCT
eurjchem-1781	2	3	r.a.m	r.a.m	ADJ
eurjchem-1781	2	4	.	.	PUNCT
eurjchem-1781	2	5	)	)	PUNCT
eurjchem-1781	3	1	*	*	PUNCT
eurjchem-1781	3	2	corresponding	correspond	VERB
eurjchem-1781	3	3	author	author	NOUN
eurjchem-1781	3	4	at	at	ADP
eurjchem-1781	3	5	:	:	PUNCT
eurjchem-1781	3	6	chemistry	chemistry	NOUN
eurjchem-1781	3	7	department	department	NOUN
eurjchem-1781	3	8	,	,	PUNCT
eurjchem-1781	3	9	faculty	faculty	NOUN
eurjchem-1781	3	10	of	of	ADP
eurjchem-1781	3	11	science	science	NOUN
eurjchem-1781	3	12	,	,	PUNCT
eurjchem-1781	3	13	alexandria	alexandria	PROPN
eurjchem-1781	3	14	university	university	PROPN
eurjchem-1781	3	15	,	,	PUNCT
eurjchem-1781	3	16	21525	21525	NUM
eurjchem-1781	3	17	alexandria	alexandria	PROPN
eurjchem-1781	3	18	,	,	PUNCT
eurjchem-1781	3	19	egypt	egypt	PROPN
eurjchem-1781	3	20	.	.	PUNCT
eurjchem-1781	4	1	tel	tel	ADP
eurjchem-1781	4	2	:	:	PUNCT
eurjchem-1781	4	3	+20.03.9547455	+20.03.9547455	NUM
eurjchem-1781	4	4	fax	fax	NOUN
eurjchem-1781	4	5	:	:	PUNCT
eurjchem-1781	4	6	+20.03.5932488	+20.03.5932488	NUM
eurjchem-1781	4	7	e	e	NOUN
eurjchem-1781	4	8	-	-	NOUN
eurjchem-1781	4	9	mail	mail	NOUN
eurjchem-1781	4	10	:	:	PUNCT
eurjchem-1781	4	11	makhyoun2@yahoo.com	makhyoun2@yahoo.com	X
eurjchem-1781	4	12	(	(	PUNCT
eurjchem-1781	4	13	m.a	m.a	PROPN
eurjchem-1781	4	14	.	.	PROPN
eurjchem-1781	4	15	makhyoun	makhyoun	PROPN
eurjchem-1781	4	16	)	)	PUNCT
eurjchem-1781	4	17	.	.	PUNCT
eurjchem-1781	5	1	10.5155	10.5155	NUM
eurjchem-1781	5	2	/	/	SYM
eurjchem-1781	5	3	eurjchem.9.4.382	eurjchem.9.4.382	PROPN
eurjchem-1781	5	4	-	-	PUNCT
eurjchem-1781	5	5	385.1781	385.1781	NUM
eurjchem-1781	5	6	received	receive	VERB
eurjchem-1781	5	7	:	:	PUNCT
eurjchem-1781	5	8	16	16	NUM
eurjchem-1781	5	9	august	august	PROPN
eurjchem-1781	5	10	2018	2018	NUM
eurjchem-1781	5	11	received	receive	VERB
eurjchem-1781	5	12	in	in	ADP
eurjchem-1781	5	13	revised	revise	VERB
eurjchem-1781	5	14	form	form	NOUN
eurjchem-1781	5	15	:	:	PUNCT
eurjchem-1781	5	16	28	28	NUM
eurjchem-1781	5	17	october	october	PROPN
eurjchem-1781	5	18	2018	2018	NUM
eurjchem-1781	5	19	accepted	accept	VERB
eurjchem-1781	5	20	:	:	PUNCT
eurjchem-1781	5	21	29	29	NUM
eurjchem-1781	5	22	october	october	NOUN
eurjchem-1781	5	23	2018	2018	NUM
eurjchem-1781	5	24	published	publish	VERB
eurjchem-1781	5	25	online	online	ADV
eurjchem-1781	5	26	:	:	PUNCT
eurjchem-1781	5	27	31	31	NUM
eurjchem-1781	5	28	december	december	PROPN
eurjchem-1781	5	29	2018	2018	NUM
eurjchem-1781	5	30	printed	print	VERB
eurjchem-1781	5	31	:	:	PUNCT
eurjchem-1781	5	32	31	31	NUM
eurjchem-1781	5	33	december	december	PROPN
eurjchem-1781	5	34	2018	2018	NUM
eurjchem-1781	5	35	the	the	DET
eurjchem-1781	5	36	magnetic	magnetic	ADJ
eurjchem-1781	5	37	parameters	parameter	NOUN
eurjchem-1781	5	38	(	(	PUNCT
eurjchem-1781	5	39	j	j	NOUN
eurjchem-1781	5	40	,	,	PUNCT
eurjchem-1781	5	41	g	g	NOUN
eurjchem-1781	5	42	)	)	PUNCT
eurjchem-1781	5	43	of	of	ADP
eurjchem-1781	5	44	two	two	NUM
eurjchem-1781	5	45	nickel(ii	nickel(ii	ADJ
eurjchem-1781	5	46	)	)	PUNCT
eurjchem-1781	5	47	1d	1d	NUM
eurjchem-1781	5	48	polymers	polymer	NOUN
eurjchem-1781	5	49	(	(	PUNCT
eurjchem-1781	5	50	ni(en)(ox	ni(en)(ox	NOUN
eurjchem-1781	5	51	)	)	PUNCT
eurjchem-1781	5	52	and	and	CCONJ
eurjchem-1781	5	53	ni(ox	ni(ox	PROPN
eurjchem-1781	5	54	)	)	PUNCT
eurjchem-1781	5	55	(	(	PUNCT
eurjchem-1781	5	56	ampy)2	ampy)2	ADV
eurjchem-1781	5	57	;	;	PUNCT
eurjchem-1781	5	58	where	where	SCONJ
eurjchem-1781	5	59	en	en	NOUN
eurjchem-1781	5	60	=	=	NOUN
eurjchem-1781	5	61	ethylene	ethylene	NOUN
eurjchem-1781	5	62	diamine	diamine	NOUN
eurjchem-1781	5	63	,	,	PUNCT
eurjchem-1781	5	64	ox	ox	NOUN
eurjchem-1781	5	65	=	=	NOUN
eurjchem-1781	5	66	oxalate	oxalate	PROPN
eurjchem-1781	5	67	,	,	PUNCT
eurjchem-1781	5	68	ampy	ampy	VERB
eurjchem-1781	5	69	=	=	SYM
eurjchem-1781	5	70	4	4	NUM
eurjchem-1781	5	71	-	-	PUNCT
eurjchem-1781	5	72	amino	amino	NOUN
eurjchem-1781	5	73	-	-	PUNCT
eurjchem-1781	5	74	pyridine	pyridine	NOUN
eurjchem-1781	5	75	)	)	PUNCT
eurjchem-1781	5	76	were	be	AUX
eurjchem-1781	5	77	calculated	calculate	VERB
eurjchem-1781	5	78	using	use	VERB
eurjchem-1781	5	79	6	6	NUM
eurjchem-1781	5	80	-	-	PUNCT
eurjchem-1781	5	81	311+g	311+g	NUM
eurjchem-1781	5	82	*	*	NOUN
eurjchem-1781	5	83	basis	basis	NOUN
eurjchem-1781	5	84	set	set	NOUN
eurjchem-1781	5	85	and	and	CCONJ
eurjchem-1781	5	86	six	six	NUM
eurjchem-1781	5	87	range	range	NOUN
eurjchem-1781	5	88	-	-	PUNCT
eurjchem-1781	5	89	separated	separate	VERB
eurjchem-1781	5	90	dft	dft	NOUN
eurjchem-1781	5	91	functionals	functional	NOUN
eurjchem-1781	5	92	(	(	PUNCT
eurjchem-1781	5	93	cam	cam	NOUN
eurjchem-1781	5	94	-	-	PUNCT
eurjchem-1781	5	95	b3lyp	b3lyp	NOUN
eurjchem-1781	5	96	,	,	PUNCT
eurjchem-1781	5	97	lc	lc	NOUN
eurjchem-1781	5	98	-	-	PUNCT
eurjchem-1781	5	99	blyp	blyp	PROPN
eurjchem-1781	5	100	,	,	PUNCT
eurjchem-1781	5	101	wb97	wb97	PROPN
eurjchem-1781	5	102	,	,	PUNCT
eurjchem-1781	5	103	wb97x	wb97x	NOUN
eurjchem-1781	5	104	,	,	PUNCT
eurjchem-1781	5	105	wb97x	wb97x	NOUN
eurjchem-1781	5	106	-	-	PUNCT
eurjchem-1781	5	107	d3	d3	NOUN
eurjchem-1781	5	108	and	and	CCONJ
eurjchem-1781	5	109	b2t	b2t	NOUN
eurjchem-1781	5	110	-	-	PUNCT
eurjchem-1781	5	111	plyp	plyp	X
eurjchem-1781	5	112	)	)	PUNCT
eurjchem-1781	5	113	together	together	ADV
eurjchem-1781	5	114	with	with	ADP
eurjchem-1781	5	115	the	the	DET
eurjchem-1781	5	116	hybrid	hybrid	ADJ
eurjchem-1781	5	117	b3lyp	b3lyp	NOUN
eurjchem-1781	5	118	method	method	NOUN
eurjchem-1781	5	119	for	for	ADP
eurjchem-1781	5	120	sake	sake	NOUN
eurjchem-1781	5	121	of	of	ADP
eurjchem-1781	5	122	comparison	comparison	NOUN
eurjchem-1781	5	123	.	.	PUNCT
eurjchem-1781	6	1	we	we	PRON
eurjchem-1781	6	2	found	find	VERB
eurjchem-1781	6	3	that	that	SCONJ
eurjchem-1781	6	4	the	the	DET
eurjchem-1781	6	5	wb97	wb97	PROPN
eurjchem-1781	6	6	,	,	PUNCT
eurjchem-1781	6	7	cam	cam	NOUN
eurjchem-1781	6	8	-	-	PUNCT
eurjchem-1781	6	9	b3lyp	b3lyp	NOUN
eurjchem-1781	6	10	and	and	CCONJ
eurjchem-1781	6	11	wb97x	wb97x	NOUN
eurjchem-1781	6	12	-	-	PUNCT
eurjchem-1781	6	13	d3	d3	NOUN
eurjchem-1781	6	14	methods	method	NOUN
eurjchem-1781	6	15	gave	give	VERB
eurjchem-1781	6	16	approximate	approximate	ADJ
eurjchem-1781	6	17	value	value	NOUN
eurjchem-1781	6	18	of	of	ADP
eurjchem-1781	6	19	j	j	PROPN
eurjchem-1781	6	20	for	for	ADP
eurjchem-1781	6	21	compound	compound	NOUN
eurjchem-1781	6	22	1	1	NUM
eurjchem-1781	6	23	and	and	CCONJ
eurjchem-1781	6	24	the	the	DET
eurjchem-1781	6	25	b2t	b2t	NOUN
eurjchem-1781	6	26	-	-	PUNCT
eurjchem-1781	6	27	plyp	plyp	ADJ
eurjchem-1781	6	28	method	method	NOUN
eurjchem-1781	6	29	was	be	AUX
eurjchem-1781	6	30	found	find	VERB
eurjchem-1781	6	31	to	to	PART
eurjchem-1781	6	32	be	be	AUX
eurjchem-1781	6	33	the	the	DET
eurjchem-1781	6	34	best	good	ADJ
eurjchem-1781	6	35	method	method	NOUN
eurjchem-1781	6	36	for	for	ADP
eurjchem-1781	6	37	compound	compound	NOUN
eurjchem-1781	6	38	2	2	NUM
eurjchem-1781	6	39	.	.	PUNCT
eurjchem-1781	7	1	the	the	DET
eurjchem-1781	7	2	g	g	PROPN
eurjchem-1781	7	3	values	value	NOUN
eurjchem-1781	7	4	were	be	AUX
eurjchem-1781	7	5	calculated	calculate	VERB
eurjchem-1781	7	6	by	by	ADP
eurjchem-1781	7	7	the	the	DET
eurjchem-1781	7	8	coupled	couple	VERB
eurjchem-1781	7	9	perturbed	perturb	VERB
eurjchem-1781	7	10	approach	approach	NOUN
eurjchem-1781	7	11	.	.	PUNCT
eurjchem-1781	8	1	however	however	ADV
eurjchem-1781	8	2	,	,	PUNCT
eurjchem-1781	8	3	we	we	PRON
eurjchem-1781	8	4	assume	assume	VERB
eurjchem-1781	8	5	that	that	SCONJ
eurjchem-1781	8	6	a	a	DET
eurjchem-1781	8	7	higher	high	ADJ
eurjchem-1781	8	8	approximation	approximation	NOUN
eurjchem-1781	8	9	is	be	AUX
eurjchem-1781	8	10	needed	need	VERB
eurjchem-1781	8	11	in	in	ADP
eurjchem-1781	8	12	order	order	NOUN
eurjchem-1781	8	13	to	to	PART
eurjchem-1781	8	14	give	give	VERB
eurjchem-1781	8	15	satisfactory	satisfactory	ADJ
eurjchem-1781	8	16	results	result	NOUN
eurjchem-1781	8	17	for	for	ADP
eurjchem-1781	8	18	g.	g.	PROPN
eurjchem-1781	8	19	a	a	DET
eurjchem-1781	8	20	new	new	ADJ
eurjchem-1781	8	21	equation	equation	NOUN
eurjchem-1781	8	22	has	have	AUX
eurjchem-1781	8	23	been	be	AUX
eurjchem-1781	8	24	proposed	propose	VERB
eurjchem-1781	8	25	to	to	PART
eurjchem-1781	8	26	relate	relate	VERB
eurjchem-1781	8	27	the	the	DET
eurjchem-1781	8	28	experimental	experimental	ADJ
eurjchem-1781	8	29	susceptibility	susceptibility	NOUN
eurjchem-1781	8	30	to	to	ADP
eurjchem-1781	8	31	the	the	DET
eurjchem-1781	8	32	j	j	PROPN
eurjchem-1781	8	33	and	and	CCONJ
eurjchem-1781	8	34	g	g	PROPN
eurjchem-1781	8	35	parameters	parameter	NOUN
eurjchem-1781	8	36	.	.	PUNCT
eurjchem-1781	9	1	the	the	DET
eurjchem-1781	9	2	curie	curie	PROPN
eurjchem-1781	9	3	-	-	PUNCT
eurjchem-1781	9	4	weiss	weiss	PROPN
eurjchem-1781	9	5	law	law	NOUN
eurjchem-1781	9	6	was	be	AUX
eurjchem-1781	9	7	included	include	VERB
eurjchem-1781	9	8	in	in	ADP
eurjchem-1781	9	9	this	this	DET
eurjchem-1781	9	10	equation	equation	NOUN
eurjchem-1781	9	11	resulting	result	VERB
eurjchem-1781	9	12	in	in	ADP
eurjchem-1781	9	13	a	a	DET
eurjchem-1781	9	14	good	good	ADJ
eurjchem-1781	9	15	explanation	explanation	NOUN
eurjchem-1781	9	16	of	of	ADP
eurjchem-1781	9	17	the	the	DET
eurjchem-1781	9	18	steep	steep	ADJ
eurjchem-1781	9	19	part	part	NOUN
eurjchem-1781	9	20	of	of	ADP
eurjchem-1781	9	21	the	the	DET
eurjchem-1781	9	22	experimental	experimental	ADJ
eurjchem-1781	9	23	curve	curve	NOUN
eurjchem-1781	9	24	below	below	ADP
eurjchem-1781	9	25	20	20	NUM
eurjchem-1781	9	26	k.	k.	PROPN
eurjchem-1781	9	27	curie	curie	PROPN
eurjchem-1781	9	28	-	-	PUNCT
eurjchem-1781	9	29	weiss	weiss	PROPN
eurjchem-1781	9	30	law	law	NOUN
eurjchem-1781	9	31	dft	dft	PROPN
eurjchem-1781	9	32	calculations	calculation	NOUN
eurjchem-1781	9	33	coupling	couple	VERB
eurjchem-1781	9	34	constant	constant	ADJ
eurjchem-1781	9	35	magnetic	magnetic	ADJ
eurjchem-1781	9	36	parameters	parameter	NOUN
eurjchem-1781	9	37	magnetic	magnetic	ADJ
eurjchem-1781	9	38	susceptibility	susceptibility	NOUN
eurjchem-1781	9	39	exchange	exchange	NOUN
eurjchem-1781	9	40	correlation	correlation	NOUN
eurjchem-1781	9	41	functional	functional	ADJ
eurjchem-1781	9	42	cite	cite	VERB
eurjchem-1781	9	43	this	this	PRON
eurjchem-1781	9	44	:	:	PUNCT
eurjchem-1781	9	45	eur	eur	PROPN
eurjchem-1781	9	46	.	.	PUNCT
eurjchem-1781	10	1	j.	j.	PROPN
eurjchem-1781	10	2	chem	chem	PROPN
eurjchem-1781	10	3	.	.	PUNCT
eurjchem-1781	11	1	2018	2018	NUM
eurjchem-1781	11	2	,	,	PUNCT
eurjchem-1781	11	3	9(4	9(4	NUM
eurjchem-1781	11	4	)	)	PUNCT
eurjchem-1781	11	5	,	,	PUNCT
eurjchem-1781	11	6	382	382	NUM
eurjchem-1781	11	7	-	-	SYM
eurjchem-1781	11	8	385	385	NUM
eurjchem-1781	11	9	journal	journal	NOUN
eurjchem-1781	11	10	website	website	NOUN
eurjchem-1781	11	11	:	:	PUNCT
eurjchem-1781	11	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1781	11	13	1	1	X
eurjchem-1781	11	14	.	.	PUNCT
eurjchem-1781	11	15	introduction	introduction	NOUN
eurjchem-1781	11	16	measuring	measure	VERB
eurjchem-1781	11	17	magnetic	magnetic	ADJ
eurjchem-1781	11	18	susceptibility	susceptibility	NOUN
eurjchem-1781	11	19	(	(	PUNCT
eurjchem-1781	11	20	χ	χ	NOUN
eurjchem-1781	11	21	)	)	PUNCT
eurjchem-1781	11	22	of	of	ADP
eurjchem-1781	11	23	one	one	NUM
eurjchem-1781	11	24	dimensional	dimensional	ADJ
eurjchem-1781	11	25	ni(ii	ni(ii	NOUN
eurjchem-1781	11	26	)	)	PUNCT
eurjchem-1781	11	27	complexes	complex	NOUN
eurjchem-1781	11	28	is	be	AUX
eurjchem-1781	11	29	an	an	DET
eurjchem-1781	11	30	interesting	interesting	ADJ
eurjchem-1781	11	31	subject	subject	NOUN
eurjchem-1781	11	32	.	.	PUNCT
eurjchem-1781	12	1	many	many	ADJ
eurjchem-1781	12	2	examples	example	NOUN
eurjchem-1781	12	3	of	of	ADP
eurjchem-1781	12	4	these	these	DET
eurjchem-1781	12	5	types	type	NOUN
eurjchem-1781	12	6	of	of	ADP
eurjchem-1781	12	7	complexes	complex	NOUN
eurjchem-1781	12	8	can	can	AUX
eurjchem-1781	12	9	be	be	AUX
eurjchem-1781	12	10	found	find	VERB
eurjchem-1781	12	11	in	in	ADP
eurjchem-1781	12	12	the	the	DET
eurjchem-1781	12	13	literature	literature	NOUN
eurjchem-1781	12	14	[	[	X
eurjchem-1781	12	15	1	1	NUM
eurjchem-1781	12	16	-	-	SYM
eurjchem-1781	12	17	9	9	NUM
eurjchem-1781	12	18	]	]	PUNCT
eurjchem-1781	12	19	.	.	PUNCT
eurjchem-1781	13	1	the	the	DET
eurjchem-1781	13	2	value	value	NOUN
eurjchem-1781	13	3	of	of	ADP
eurjchem-1781	13	4	the	the	DET
eurjchem-1781	13	5	magnetic	magnetic	ADJ
eurjchem-1781	13	6	coupling	couple	VERB
eurjchem-1781	13	7	constant	constant	ADJ
eurjchem-1781	13	8	(	(	PUNCT
eurjchem-1781	13	9	j	j	NOUN
eurjchem-1781	13	10	)	)	PUNCT
eurjchem-1781	13	11	for	for	ADP
eurjchem-1781	13	12	these	these	DET
eurjchem-1781	13	13	types	type	NOUN
eurjchem-1781	13	14	of	of	ADP
eurjchem-1781	13	15	complexes	complex	NOUN
eurjchem-1781	13	16	are	be	AUX
eurjchem-1781	13	17	usually	usually	ADV
eurjchem-1781	13	18	extracted	extract	VERB
eurjchem-1781	13	19	from	from	ADP
eurjchem-1781	13	20	a	a	DET
eurjchem-1781	13	21	plot	plot	NOUN
eurjchem-1781	13	22	of	of	ADP
eurjchem-1781	13	23	χ	χ	NOUN
eurjchem-1781	13	24	versus	versus	ADP
eurjchem-1781	13	25	t.	t.	NOUN
eurjchem-1781	13	26	the	the	DET
eurjchem-1781	13	27	values	value	NOUN
eurjchem-1781	13	28	of	of	ADP
eurjchem-1781	13	29	the	the	DET
eurjchem-1781	13	30	magnetic	magnetic	ADJ
eurjchem-1781	13	31	coupling	coupling	NOUN
eurjchem-1781	13	32	constant	constant	ADJ
eurjchem-1781	13	33	obtained	obtain	VERB
eurjchem-1781	13	34	by	by	ADP
eurjchem-1781	13	35	this	this	DET
eurjchem-1781	13	36	way	way	NOUN
eurjchem-1781	13	37	are	be	AUX
eurjchem-1781	13	38	dependent	dependent	ADJ
eurjchem-1781	13	39	on	on	ADP
eurjchem-1781	13	40	many	many	ADJ
eurjchem-1781	13	41	factors	factor	NOUN
eurjchem-1781	13	42	.	.	PUNCT
eurjchem-1781	14	1	some	some	PRON
eurjchem-1781	14	2	are	be	AUX
eurjchem-1781	14	3	related	relate	VERB
eurjchem-1781	14	4	to	to	ADP
eurjchem-1781	14	5	the	the	DET
eurjchem-1781	14	6	type	type	NOUN
eurjchem-1781	14	7	of	of	ADP
eurjchem-1781	14	8	ligand	ligand	NOUN
eurjchem-1781	14	9	involved	involve	VERB
eurjchem-1781	14	10	,	,	PUNCT
eurjchem-1781	14	11	the	the	DET
eurjchem-1781	14	12	angle	angle	NOUN
eurjchem-1781	14	13	of	of	ADP
eurjchem-1781	14	14	the	the	DET
eurjchem-1781	14	15	bridge	bridge	NOUN
eurjchem-1781	14	16	m	m	NOUN
eurjchem-1781	14	17	-	-	PUNCT
eurjchem-1781	14	18	x	x	NOUN
eurjchem-1781	14	19	-	-	NOUN
eurjchem-1781	14	20	m	m	NOUN
eurjchem-1781	14	21	[	[	X
eurjchem-1781	14	22	10	10	NUM
eurjchem-1781	14	23	]	]	PUNCT
eurjchem-1781	14	24	and	and	CCONJ
eurjchem-1781	14	25	to	to	ADP
eurjchem-1781	14	26	some	some	DET
eurjchem-1781	14	27	extent	extent	NOUN
eurjchem-1781	14	28	on	on	ADP
eurjchem-1781	14	29	the	the	DET
eurjchem-1781	14	30	ni	ni	PROPN
eurjchem-1781	14	31	-	-	PROPN
eurjchem-1781	14	32	ni	ni	PROPN
eurjchem-1781	14	33	separation	separation	NOUN
eurjchem-1781	14	34	[	[	X
eurjchem-1781	14	35	8	8	NUM
eurjchem-1781	14	36	]	]	PUNCT
eurjchem-1781	14	37	.	.	PUNCT
eurjchem-1781	15	1	in	in	ADP
eurjchem-1781	15	2	addition	addition	NOUN
eurjchem-1781	15	3	,	,	PUNCT
eurjchem-1781	15	4	the	the	DET
eurjchem-1781	15	5	polymer	polymer	NOUN
eurjchem-1781	15	6	chain	chain	NOUN
eurjchem-1781	15	7	may	may	AUX
eurjchem-1781	15	8	show	show	VERB
eurjchem-1781	15	9	anti	anti	ADJ
eurjchem-1781	15	10	-	-	ADJ
eurjchem-1781	15	11	ferromagnetic	ferromagnetic	ADJ
eurjchem-1781	15	12	character	character	NOUN
eurjchem-1781	15	13	for	for	ADP
eurjchem-1781	15	14	the	the	DET
eurjchem-1781	15	15	investigated	investigate	VERB
eurjchem-1781	15	16	compound	compound	NOUN
eurjchem-1781	15	17	,	,	PUNCT
eurjchem-1781	15	18	but	but	CCONJ
eurjchem-1781	15	19	in	in	ADP
eurjchem-1781	15	20	a	a	DET
eurjchem-1781	15	21	few	few	ADJ
eurjchem-1781	15	22	cases	case	NOUN
eurjchem-1781	15	23	,	,	PUNCT
eurjchem-1781	15	24	ferromagnetic	ferromagnetic	ADJ
eurjchem-1781	15	25	behavior	behavior	NOUN
eurjchem-1781	15	26	is	be	AUX
eurjchem-1781	15	27	also	also	ADV
eurjchem-1781	15	28	exhibited	exhibit	VERB
eurjchem-1781	15	29	[	[	X
eurjchem-1781	15	30	11	11	NUM
eurjchem-1781	15	31	]	]	PUNCT
eurjchem-1781	15	32	.	.	PUNCT
eurjchem-1781	16	1	the	the	DET
eurjchem-1781	16	2	problem	problem	NOUN
eurjchem-1781	16	3	is	be	AUX
eurjchem-1781	16	4	to	to	PART
eurjchem-1781	16	5	fit	fit	VERB
eurjchem-1781	16	6	the	the	DET
eurjchem-1781	16	7	experimental	experimental	ADJ
eurjchem-1781	16	8	curve	curve	NOUN
eurjchem-1781	16	9	(	(	PUNCT
eurjchem-1781	16	10	χ	χ	X
eurjchem-1781	16	11	vs	vs	ADP
eurjchem-1781	16	12	t	t	PROPN
eurjchem-1781	16	13	)	)	PUNCT
eurjchem-1781	16	14	with	with	ADP
eurjchem-1781	16	15	an	an	DET
eurjchem-1781	16	16	equation	equation	NOUN
eurjchem-1781	16	17	which	which	PRON
eurjchem-1781	16	18	gives	give	VERB
eurjchem-1781	16	19	the	the	DET
eurjchem-1781	16	20	magnetic	magnetic	ADJ
eurjchem-1781	16	21	parameters	parameter	NOUN
eurjchem-1781	16	22	(	(	PUNCT
eurjchem-1781	16	23	j	j	NOUN
eurjchem-1781	16	24	,	,	PUNCT
eurjchem-1781	16	25	g	g	NOUN
eurjchem-1781	16	26	)	)	PUNCT
eurjchem-1781	16	27	,	,	PUNCT
eurjchem-1781	16	28	where	where	SCONJ
eurjchem-1781	16	29	g	g	PROPN
eurjchem-1781	16	30	is	be	AUX
eurjchem-1781	16	31	the	the	DET
eurjchem-1781	16	32	landé	landé	PROPN
eurjchem-1781	16	33	splitting	splitting	NOUN
eurjchem-1781	16	34	parameter	parameter	NOUN
eurjchem-1781	16	35	,	,	PUNCT
eurjchem-1781	16	36	usually	usually	ADV
eurjchem-1781	16	37	~2	~2	NOUN
eurjchem-1781	16	38	.	.	PUNCT
eurjchem-1781	17	1	a	a	DET
eurjchem-1781	17	2	nonlinear	nonlinear	ADJ
eurjchem-1781	17	3	least	least	ADJ
eurjchem-1781	17	4	square	square	ADJ
eurjchem-1781	17	5	method	method	NOUN
eurjchem-1781	17	6	is	be	AUX
eurjchem-1781	17	7	usually	usually	ADV
eurjchem-1781	17	8	employed	employ	VERB
eurjchem-1781	17	9	to	to	PART
eurjchem-1781	17	10	make	make	VERB
eurjchem-1781	17	11	that	that	PRON
eurjchem-1781	17	12	fit	fit	NOUN
eurjchem-1781	17	13	.	.	PUNCT
eurjchem-1781	18	1	the	the	DET
eurjchem-1781	18	2	analytical	analytical	ADJ
eurjchem-1781	18	3	expression	expression	NOUN
eurjchem-1781	18	4	(	(	PUNCT
eurjchem-1781	18	5	equation	equation	NOUN
eurjchem-1781	18	6	(	(	PUNCT
eurjchem-1781	18	7	1	1	NUM
eurjchem-1781	18	8	)	)	PUNCT
eurjchem-1781	18	9	)	)	PUNCT
eurjchem-1781	18	10	relating	relate	VERB
eurjchem-1781	18	11	the	the	DET
eurjchem-1781	18	12	susceptibility	susceptibility	NOUN
eurjchem-1781	18	13	to	to	ADP
eurjchem-1781	18	14	the	the	DET
eurjchem-1781	18	15	temperature	temperature	NOUN
eurjchem-1781	18	16	for	for	ADP
eurjchem-1781	18	17	1d	1d	NUM
eurjchem-1781	18	18	ni	ni	PROPN
eurjchem-1781	18	19	(	(	PUNCT
eurjchem-1781	18	20	ii	ii	NOUN
eurjchem-1781	18	21	)	)	PUNCT
eurjchem-1781	18	22	polymers	polymer	NOUN
eurjchem-1781	18	23	was	be	AUX
eurjchem-1781	18	24	first	first	ADV
eurjchem-1781	18	25	proposed	propose	VERB
eurjchem-1781	18	26	by	by	ADP
eurjchem-1781	18	27	reference	reference	NOUN
eurjchem-1781	18	28	[	[	X
eurjchem-1781	18	29	2	2	NUM
eurjchem-1781	18	30	]	]	PUNCT
eurjchem-1781	18	31	.	.	PUNCT
eurjchem-1781	19	1	this	this	PRON
eurjchem-1781	19	2	is	be	AUX
eurjchem-1781	19	3	not	not	PART
eurjchem-1781	19	4	the	the	DET
eurjchem-1781	19	5	first	first	ADJ
eurjchem-1781	19	6	time	time	NOUN
eurjchem-1781	19	7	that	that	PRON
eurjchem-1781	19	8	two	two	NUM
eurjchem-1781	19	9	equations	equation	NOUN
eurjchem-1781	19	10	were	be	AUX
eurjchem-1781	19	11	used	use	VERB
eurjchem-1781	19	12	to	to	PART
eurjchem-1781	19	13	fit	fit	VERB
eurjchem-1781	19	14	the	the	DET
eurjchem-1781	19	15	same	same	ADJ
eurjchem-1781	19	16	experimental	experimental	ADJ
eurjchem-1781	19	17	susceptibilities	susceptibility	NOUN
eurjchem-1781	19	18	,	,	PUNCT
eurjchem-1781	19	19	by	by	ADP
eurjchem-1781	19	20	two	two	NUM
eurjchem-1781	19	21	different	different	ADJ
eurjchem-1781	19	22	authors	author	NOUN
eurjchem-1781	19	23	to	to	PART
eurjchem-1781	19	24	give	give	VERB
eurjchem-1781	19	25	two	two	NUM
eurjchem-1781	19	26	different	different	ADJ
eurjchem-1781	19	27	values	value	NOUN
eurjchem-1781	19	28	of	of	ADP
eurjchem-1781	19	29	j	j	PROPN
eurjchem-1781	20	1	[	[	X
eurjchem-1781	20	2	12	12	NUM
eurjchem-1781	20	3	]	]	PUNCT
eurjchem-1781	20	4	.	.	PUNCT
eurjchem-1781	21	1	both	both	DET
eurjchem-1781	21	2	values	value	NOUN
eurjchem-1781	21	3	could	could	AUX
eurjchem-1781	21	4	be	be	AUX
eurjchem-1781	21	5	valid	valid	ADJ
eurjchem-1781	21	6	.	.	PUNCT
eurjchem-1781	22	1	(	(	PUNCT
eurjchem-1781	22	2	)	)	PUNCT
eurjchem-1781	22	3	(	(	PUNCT
eurjchem-1781	22	4	)	)	PUNCT
eurjchem-1781	22	5	(	(	PUNCT
eurjchem-1781	22	6	)	)	PUNCT
eurjchem-1781	22	7	2	2	NUM
eurjchem-1781	22	8	2	2	NUM
eurjchem-1781	22	9	2	2	NUM
eurjchem-1781	22	10	2	2	NUM
eurjchem-1781	22	11	3	3	NUM
eurjchem-1781	22	12	2	2	NUM
eurjchem-1781	22	13	0.0194	0.0194	NUM
eurjchem-1781	22	14	0.777	0.777	NUM
eurjchem-1781	22	15	nβ	nβ	ADP
eurjchem-1781	22	16	g	g	PROPN
eurjchem-1781	22	17	/kt	/kt	PROPN
eurjchem-1781	22	18	3	3	NUM
eurjchem-1781	23	1	4.346	4.346	NUM
eurjchem-1781	23	2	3.232	3.232	NUM
eurjchem-1781	23	3	5.834	5.834	NUM
eurjchem-1781	23	4	x	x	SYM
eurjchem-1781	23	5	x	x	PUNCT
eurjchem-1781	23	6	x	x	PUNCT
eurjchem-1781	23	7	x	x	PUNCT
eurjchem-1781	23	8	x	x	X
eurjchem-1781	23	9	χ	χ	NOUN
eurjchem-1781	23	10	+	+	X
eurjchem-1781	23	11	+	+	PUNCT
eurjchem-1781	23	12	=	=	X
eurjchem-1781	24	1	+	+	PUNCT
eurjchem-1781	24	2	+	+	PUNCT
eurjchem-1781	24	3	+	+	CCONJ
eurjchem-1781	24	4	(	(	PUNCT
eurjchem-1781	24	5	1	1	X
eurjchem-1781	24	6	)	)	PUNCT
eurjchem-1781	24	7	where	where	SCONJ
eurjchem-1781	24	8	j	j	PROPN
eurjchem-1781	24	9	is	be	AUX
eurjchem-1781	24	10	the	the	DET
eurjchem-1781	24	11	nearest	near	ADJ
eurjchem-1781	24	12	neighbor	neighbor	NOUN
eurjchem-1781	24	13	spin	spin	NOUN
eurjchem-1781	24	14	exchange	exchange	NOUN
eurjchem-1781	24	15	coupling	couple	VERB
eurjchem-1781	24	16	constant	constant	ADJ
eurjchem-1781	24	17	and	and	CCONJ
eurjchem-1781	24	18	x	x	SYM
eurjchem-1781	24	19	=	=	SYM
eurjchem-1781	24	20	|j|/k×t	|j|/k×t	PROPN
eurjchem-1781	24	21	.	.	PUNCT
eurjchem-1781	25	1	density	density	NOUN
eurjchem-1781	25	2	functional	functional	ADJ
eurjchem-1781	25	3	theory	theory	NOUN
eurjchem-1781	25	4	(	(	PUNCT
eurjchem-1781	25	5	dft	dft	NOUN
eurjchem-1781	25	6	)	)	PUNCT
eurjchem-1781	25	7	approach	approach	NOUN
eurjchem-1781	25	8	is	be	AUX
eurjchem-1781	25	9	a	a	DET
eurjchem-1781	25	10	simple	simple	ADJ
eurjchem-1781	25	11	and	and	CCONJ
eurjchem-1781	25	12	quick	quick	ADJ
eurjchem-1781	25	13	method	method	NOUN
eurjchem-1781	25	14	to	to	PART
eurjchem-1781	25	15	calculate	calculate	VERB
eurjchem-1781	25	16	approximate	approximate	ADJ
eurjchem-1781	25	17	values	value	NOUN
eurjchem-1781	25	18	of	of	ADP
eurjchem-1781	25	19	the	the	DET
eurjchem-1781	25	20	magnetic	magnetic	ADJ
eurjchem-1781	25	21	parameters	parameter	NOUN
eurjchem-1781	25	22	.	.	PUNCT
eurjchem-1781	26	1	we	we	PRON
eurjchem-1781	26	2	assume	assume	VERB
eurjchem-1781	26	3	that	that	SCONJ
eurjchem-1781	26	4	reliable	reliable	ADJ
eurjchem-1781	26	5	values	value	NOUN
eurjchem-1781	26	6	should	should	AUX
eurjchem-1781	26	7	be	be	AUX
eurjchem-1781	26	8	obtained	obtain	VERB
eurjchem-1781	26	9	from	from	ADP
eurjchem-1781	26	10	some	some	DET
eurjchem-1781	26	11	multi	multi	ADJ
eurjchem-1781	26	12	-	-	ADJ
eurjchem-1781	26	13	configurational	configurational	ADJ
eurjchem-1781	26	14	,	,	PUNCT
eurjchem-1781	26	15	accurate	accurate	ADJ
eurjchem-1781	26	16	theoretical	theoretical	ADJ
eurjchem-1781	26	17	approaches	approach	NOUN
eurjchem-1781	26	18	[	[	X
eurjchem-1781	26	19	13	13	NUM
eurjchem-1781	26	20	]	]	PUNCT
eurjchem-1781	26	21	.	.	PUNCT
eurjchem-1781	27	1	to	to	PART
eurjchem-1781	27	2	do	do	VERB
eurjchem-1781	27	3	so	so	ADV
eurjchem-1781	27	4	,	,	PUNCT
eurjchem-1781	27	5	it	it	PRON
eurjchem-1781	27	6	requires	require	VERB
eurjchem-1781	27	7	greater	great	ADJ
eurjchem-1781	27	8	computational	computational	ADJ
eurjchem-1781	27	9	resources	resource	NOUN
eurjchem-1781	27	10	,	,	PUNCT
eurjchem-1781	27	11	especially	especially	ADV
eurjchem-1781	27	12	for	for	ADP
eurjchem-1781	27	13	large	large	ADJ
eurjchem-1781	27	14	and	and	CCONJ
eurjchem-1781	27	15	moderately	moderately	ADV
eurjchem-1781	27	16	large	large	ADJ
eurjchem-1781	27	17	molecules	molecule	NOUN
eurjchem-1781	27	18	.	.	PUNCT
eurjchem-1781	28	1	several	several	ADJ
eurjchem-1781	28	2	attempts	attempt	NOUN
eurjchem-1781	28	3	were	be	AUX
eurjchem-1781	28	4	done	do	VERB
eurjchem-1781	28	5	to	to	PART
eurjchem-1781	28	6	estimate	estimate	VERB
eurjchem-1781	28	7	j	j	PROPN
eurjchem-1781	28	8	in	in	ADP
eurjchem-1781	28	9	the	the	DET
eurjchem-1781	28	10	literature	literature	NOUN
eurjchem-1781	28	11	[	[	X
eurjchem-1781	28	12	8,12,13	8,12,13	NUM
eurjchem-1781	28	13	]	]	PUNCT
eurjchem-1781	28	14	;	;	PUNCT
eurjchem-1781	28	15	some	some	PRON
eurjchem-1781	28	16	of	of	ADP
eurjchem-1781	28	17	them	they	PRON
eurjchem-1781	28	18	use	use	VERB
eurjchem-1781	28	19	simple	simple	ADJ
eurjchem-1781	28	20	dft	dft	NOUN
eurjchem-1781	28	21	approach	approach	NOUN
eurjchem-1781	28	22	.	.	PUNCT
eurjchem-1781	29	1	in	in	ADP
eurjchem-1781	29	2	this	this	DET
eurjchem-1781	29	3	study	study	NOUN
eurjchem-1781	29	4	,	,	PUNCT
eurjchem-1781	29	5	we	we	PRON
eurjchem-1781	29	6	investigated	investigate	VERB
eurjchem-1781	29	7	the	the	DET
eurjchem-1781	29	8	ability	ability	NOUN
eurjchem-1781	29	9	of	of	ADP
eurjchem-1781	29	10	some	some	DET
eurjchem-1781	29	11	range	range	NOUN
eurjchem-1781	29	12	-	-	PUNCT
eurjchem-1781	29	13	separated	separate	VERB
eurjchem-1781	29	14	functionals	functional	NOUN
eurjchem-1781	29	15	hoping	hope	VERB
eurjchem-1781	29	16	that	that	SCONJ
eurjchem-1781	29	17	they	they	PRON
eurjchem-1781	29	18	reproduce	reproduce	VERB
eurjchem-1781	29	19	approximately	approximately	ADV
eurjchem-1781	29	20	experimental	experimental	ADJ
eurjchem-1781	29	21	j	j	PROPN
eurjchem-1781	29	22	and	and	CCONJ
eurjchem-1781	29	23	g	g	PROPN
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eurjchem-1781	29	25	.	.	PUNCT
eurjchem-1781	30	1	attempts	attempt	NOUN
eurjchem-1781	30	2	to	to	PART
eurjchem-1781	30	3	obtain	obtain	VERB
eurjchem-1781	30	4	values	value	NOUN
eurjchem-1781	30	5	of	of	ADP
eurjchem-1781	30	6	j	j	PROPN
eurjchem-1781	30	7	closer	close	ADV
eurjchem-1781	30	8	to	to	ADP
eurjchem-1781	30	9	the	the	DET
eurjchem-1781	30	10	experimental	experimental	ADJ
eurjchem-1781	30	11	values	value	NOUN
eurjchem-1781	30	12	by	by	ADP
eurjchem-1781	30	13	employing	employ	VERB
eurjchem-1781	30	14	rangeseparated	rangeseparate	VERB
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eurjchem-1781	30	16	were	be	AUX
eurjchem-1781	30	17	performed	perform	VERB
eurjchem-1781	30	18	before	before	ADP
eurjchem-1781	30	19	[	[	X
eurjchem-1781	30	20	14,15	14,15	NUM
eurjchem-1781	30	21	]	]	PUNCT
eurjchem-1781	30	22	.	.	PUNCT
eurjchem-1781	31	1	abstract	abstract	ADJ
eurjchem-1781	31	2	research	research	NOUN
eurjchem-1781	31	3	article	article	NOUN
eurjchem-1781	31	4	keywords	keyword	VERB
eurjchem-1781	31	5	european	european	PROPN
eurjchem-1781	31	6	journal	journal	PROPN
eurjchem-1781	31	7	of	of	ADP
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eurjchem-1781	31	9	issn	issn	VERB
eurjchem-1781	31	10	2153	2153	NUM
eurjchem-1781	31	11	-	-	SYM
eurjchem-1781	31	12	2249	2249	NUM
eurjchem-1781	31	13	(	(	PUNCT
eurjchem-1781	31	14	print	print	NOUN
eurjchem-1781	31	15	)	)	PUNCT
eurjchem-1781	31	16	/	/	PUNCT
eurjchem-1781	31	17	issn	issn	PROPN
eurjchem-1781	31	18	2153	2153	NUM
eurjchem-1781	31	19	-	-	SYM
eurjchem-1781	31	20	2257	2257	NUM
eurjchem-1781	31	21	(	(	PUNCT
eurjchem-1781	31	22	online	online	ADJ
eurjchem-1781	31	23	)	)	PUNCT
eurjchem-1781	31	24	–	–	PUNCT
eurjchem-1781	32	1	copyright	copyright	NOUN
eurjchem-1781	32	2	©	©	PROPN
eurjchem-1781	32	3	2018	2018	NUM
eurjchem-1781	32	4	the	the	DET
eurjchem-1781	32	5	authors	author	NOUN
eurjchem-1781	32	6	–	–	PUNCT
eurjchem-1781	32	7	atlanta	atlanta	PROPN
eurjchem-1781	32	8	publishing	publishing	PROPN
eurjchem-1781	32	9	house	house	PROPN
eurjchem-1781	32	10	llc	llc	PROPN
eurjchem-1781	32	11	–	–	PUNCT
eurjchem-1781	32	12	printed	print	VERB
eurjchem-1781	32	13	in	in	ADP
eurjchem-1781	32	14	the	the	DET
eurjchem-1781	32	15	usa	usa	PROPN
eurjchem-1781	32	16	.	.	PUNCT
eurjchem-1781	33	1	this	this	DET
eurjchem-1781	33	2	work	work	NOUN
eurjchem-1781	33	3	is	be	AUX
eurjchem-1781	33	4	published	publish	VERB
eurjchem-1781	33	5	and	and	CCONJ
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eurjchem-1781	33	7	by	by	ADP
eurjchem-1781	33	8	atlanta	atlanta	PROPN
eurjchem-1781	33	9	publishing	publishing	PROPN
eurjchem-1781	33	10	house	house	PROPN
eurjchem-1781	33	11	llc	llc	PROPN
eurjchem-1781	33	12	–	–	PUNCT
eurjchem-1781	33	13	cc	cc	PROPN
eurjchem-1781	33	14	by	by	ADP
eurjchem-1781	33	15	nc	nc	PROPN
eurjchem-1781	33	16	–	–	PUNCT
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eurjchem-1781	33	18	rights	right	NOUN
eurjchem-1781	33	19	reserved	reserve	VERB
eurjchem-1781	33	20	.	.	PUNCT
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eurjchem-1781	35	1	http://dx.doi.org/10.5155/eurjchem.9.4.382-385.1781	http://dx.doi.org/10.5155/eurjchem.9.4.382-385.1781	PROPN
eurjchem-1781	35	2	mailto:makhyoun2@yahoo.com	mailto:makhyoun2@yahoo.com	PROPN
eurjchem-1781	35	3	mailto:raghdaamassoud@yahoo.com	mailto:raghdaamassoud@yahoo.com	PROPN
eurjchem-1781	35	4	mailto:makhyoun2@yahoo.com	mailto:makhyoun2@yahoo.com	PROPN
eurjchem-1781	35	5	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-1781	35	6	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.9.4.382-385.1781&domain=pdf&date_stamp=2018-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.9.4.382-385.1781&domain=pdf&date_stamp=2018-12-31	PROPN
eurjchem-1781	35	7	�	�	PROPN
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eurjchem-1781	35	9	and	and	CCONJ
eurjchem-1781	35	10	massoud	massoud	PROPN
eurjchem-1781	35	11	/	/	SYM
eurjchem-1781	35	12	european	european	PROPN
eurjchem-1781	35	13	journal	journal	PROPN
eurjchem-1781	35	14	of	of	ADP
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eurjchem-1781	35	16	9	9	NUM
eurjchem-1781	35	17	(	(	PUNCT
eurjchem-1781	35	18	4	4	NUM
eurjchem-1781	35	19	)	)	PUNCT
eurjchem-1781	35	20	(	(	PUNCT
eurjchem-1781	35	21	2018	2018	NUM
eurjchem-1781	35	22	)	)	PUNCT
eurjchem-1781	35	23	382	382	NUM
eurjchem-1781	35	24	-	-	SYM
eurjchem-1781	35	25	385	385	NUM
eurjchem-1781	35	26	383	383	NUM
eurjchem-1781	35	27	table	table	NOUN
eurjchem-1781	35	28	1	1	NUM
eurjchem-1781	35	29	.	.	PUNCT
eurjchem-1781	35	30	theoretically	theoretically	ADV
eurjchem-1781	35	31	calculated	calculate	VERB
eurjchem-1781	35	32	magnetic	magnetic	ADJ
eurjchem-1781	35	33	parameters	parameter	NOUN
eurjchem-1781	35	34	.	.	PUNCT
eurjchem-1781	36	1	function	function	NOUN
eurjchem-1781	36	2	compound	compound	NOUN
eurjchem-1781	36	3	1	1	NUM
eurjchem-1781	36	4	compound	compound	NOUN
eurjchem-1781	36	5	2	2	NUM
eurjchem-1781	36	6	j	j	PROPN
eurjchem-1781	36	7	(	(	PUNCT
eurjchem-1781	36	8	cm-1	cm-1	PROPN
eurjchem-1781	36	9	)	)	PUNCT
eurjchem-1781	36	10	g	g	PROPN
eurjchem-1781	36	11	j	j	PROPN
eurjchem-1781	36	12	(	(	PUNCT
eurjchem-1781	36	13	cm-1	cm-1	PROPN
eurjchem-1781	36	14	)	)	PUNCT
eurjchem-1781	36	15	g	g	PROPN
eurjchem-1781	36	16	cam	cam	PROPN
eurjchem-1781	36	17	-	-	PUNCT
eurjchem-1781	36	18	b3lyp	b3lyp	NOUN
eurjchem-1781	36	19	-14.43	-14.43	PROPN
eurjchem-1781	36	20	2.11	2.11	NUM
eurjchem-1781	36	21	-14.4	-14.4	NUM
eurjchem-1781	36	22	2.11	2.11	NUM
eurjchem-1781	36	23	lc	lc	NOUN
eurjchem-1781	36	24	-	-	PUNCT
eurjchem-1781	36	25	blyp	blyp	ADJ
eurjchem-1781	36	26	-25.78	-25.78	PROPN
eurjchem-1781	36	27	2.10	2.10	NUM
eurjchem-1781	36	28	-21.7	-21.7	NUM
eurjchem-1781	36	29	2.11	2.11	NUM
eurjchem-1781	36	30	wb97	wb97	PROPN
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eurjchem-1781	36	32	2.11	2.11	NUM
eurjchem-1781	36	33	-15.9	-15.9	NUM
eurjchem-1781	36	34	2.11	2.11	NUM
eurjchem-1781	36	35	wb97x	wb97x	NOUN
eurjchem-1781	36	36	-	-	PUNCT
eurjchem-1781	36	37	d3	d3	NOUN
eurjchem-1781	36	38	-17.86	-17.86	PROPN
eurjchem-1781	36	39	2.12	2.12	NUM
eurjchem-1781	36	40	-14.1	-14.1	NUM
eurjchem-1781	36	41	2.12	2.12	NUM
eurjchem-1781	36	42	b2t	b2t	NOUN
eurjchem-1781	36	43	-	-	PUNCT
eurjchem-1781	36	44	plyp	plyp	ADJ
eurjchem-1781	36	45	-6.06	-6.06	NUM
eurjchem-1781	36	46	2.16	2.16	NUM
eurjchem-1781	36	47	-7.00	-7.00	NUM
eurjchem-1781	36	48	2.19	2.19	NUM
eurjchem-1781	36	49	d	d	PROPN
eurjchem-1781	36	50	b3lyp	b3lyp	SYM
eurjchem-1781	36	51	-21.61	-21.61	PROPN
eurjchem-1781	36	52	2.11	2.11	NUM
eurjchem-1781	36	53	-21.7	-21.7	NUM
eurjchem-1781	36	54	2.11	2.11	NUM
eurjchem-1781	36	55	if	if	SCONJ
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eurjchem-1781	36	57	(	(	PUNCT
eurjchem-1781	36	58	1	1	X
eurjchem-1781	36	59	)	)	PUNCT
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eurjchem-1781	36	61	applied	apply	VERB
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eurjchem-1781	36	63	a	a	PRON
eurjchem-1781	36	64	,	,	PUNCT
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eurjchem-1781	36	66	=	=	SYM
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eurjchem-1781	36	69	a	a	DET
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eurjchem-1781	36	72	,	,	PUNCT
eurjchem-1781	36	73	r	r	NOUN
eurjchem-1781	36	74	=	=	NOUN
eurjchem-1781	36	75	0.999	0.999	NUM
eurjchem-1781	36	76	2.20	2.20	NUM
eurjchem-1781	36	77	b	b	NOUN
eurjchem-1781	36	78	if	if	SCONJ
eurjchem-1781	36	79	equation	equation	NOUN
eurjchem-1781	36	80	(	(	PUNCT
eurjchem-1781	36	81	3	3	X
eurjchem-1781	36	82	)	)	PUNCT
eurjchem-1781	36	83	is	be	AUX
eurjchem-1781	36	84	applied	apply	VERB
eurjchem-1781	36	85	-12.8±0.11	-12.8±0.11	NOUN
eurjchem-1781	36	86	c	c	NOUN
eurjchem-1781	36	87	,	,	PUNCT
eurjchem-1781	36	88	θ	θ	X
eurjchem-1781	36	89	=	=	SYM
eurjchem-1781	37	1	52.2±0.70	52.2±0.70	NUM
eurjchem-1781	37	2	,	,	PUNCT
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eurjchem-1781	37	4	=	=	SYM
eurjchem-1781	37	5	0.9987	0.9987	NUM
eurjchem-1781	37	6	2.3±0.01c	2.3±0.01c	NUM
eurjchem-1781	37	7	-6.60±0.10	-6.60±0.10	PUNCT
eurjchem-1781	37	8	c	c	X
eurjchem-1781	37	9	,	,	PUNCT
eurjchem-1781	37	10	θ	θ	PROPN
eurjchem-1781	37	11	=	=	SYM
eurjchem-1781	37	12	65.5±1.0	65.5±1.0	NUM
eurjchem-1781	37	13	,	,	PUNCT
eurjchem-1781	37	14	r	r	NOUN
eurjchem-1781	37	15	=	=	SYM
eurjchem-1781	37	16	0.9937	0.9937	NUM
eurjchem-1781	38	1	2.33±0.005	2.33±0.005	NUM
eurjchem-1781	38	2	c	c	NOUN
eurjchem-1781	38	3	a	a	DET
eurjchem-1781	38	4	data	datum	NOUN
eurjchem-1781	38	5	obtained	obtain	VERB
eurjchem-1781	38	6	from	from	ADP
eurjchem-1781	38	7	reference	reference	NOUN
eurjchem-1781	38	8	[	[	X
eurjchem-1781	38	9	1	1	NUM
eurjchem-1781	38	10	]	]	PUNCT
eurjchem-1781	38	11	.	.	PUNCT
eurjchem-1781	39	1	b	b	X
eurjchem-1781	39	2	data	datum	NOUN
eurjchem-1781	39	3	obtained	obtain	VERB
eurjchem-1781	39	4	from	from	ADP
eurjchem-1781	39	5	reference	reference	NOUN
eurjchem-1781	39	6	[	[	X
eurjchem-1781	39	7	3	3	NUM
eurjchem-1781	39	8	]	]	PUNCT
eurjchem-1781	39	9	.	.	PUNCT
eurjchem-1781	40	1	c	c	NOUN
eurjchem-1781	40	2	this	this	DET
eurjchem-1781	40	3	work	work	NOUN
eurjchem-1781	40	4	.	.	PUNCT
eurjchem-1781	41	1	d	d	X
eurjchem-1781	41	2	due	due	ADP
eurjchem-1781	41	3	to	to	ADP
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eurjchem-1781	41	5	large	large	ADJ
eurjchem-1781	41	6	dimeric	dimeric	ADJ
eurjchem-1781	41	7	unit	unit	NOUN
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eurjchem-1781	41	9	compound	compound	NOUN
eurjchem-1781	41	10	2	2	NUM
eurjchem-1781	41	11	and	and	CCONJ
eurjchem-1781	41	12	the	the	DET
eurjchem-1781	41	13	fact	fact	NOUN
eurjchem-1781	41	14	that	that	SCONJ
eurjchem-1781	41	15	b2t	b2t	NOUN
eurjchem-1781	41	16	-	-	PUNCT
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eurjchem-1781	41	20	calculations	calculation	NOUN
eurjchem-1781	41	21	for	for	ADP
eurjchem-1781	41	22	g	g	NOUN
eurjchem-1781	41	23	by	by	ADP
eurjchem-1781	41	24	high	high	ADJ
eurjchem-1781	41	25	level	level	NOUN
eurjchem-1781	41	26	mp2	mp2	NOUN
eurjchem-1781	41	27	method	method	NOUN
eurjchem-1781	41	28	the	the	DET
eurjchem-1781	41	29	basis	basis	NOUN
eurjchem-1781	41	30	set	set	NOUN
eurjchem-1781	41	31	is	be	AUX
eurjchem-1781	41	32	reduced	reduce	VERB
eurjchem-1781	41	33	to	to	ADP
eurjchem-1781	41	34	6	6	NUM
eurjchem-1781	41	35	-	-	SYM
eurjchem-1781	41	36	31	31	NUM
eurjchem-1781	41	37	g.	g.	NOUN
eurjchem-1781	41	38	figure	figure	NOUN
eurjchem-1781	41	39	1	1	NUM
eurjchem-1781	41	40	.	.	PUNCT
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eurjchem-1781	41	50	used	use	VERB
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eurjchem-1781	41	54	,	,	PUNCT
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eurjchem-1781	41	57	the	the	DET
eurjchem-1781	41	58	1d	1d	NUM
eurjchem-1781	41	59	zigzag	zigzag	NOUN
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eurjchem-1781	41	61	ni(en)(ox	ni(en)(ox	NOUN
eurjchem-1781	41	62	)	)	PUNCT
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eurjchem-1781	42	1	the	the	DET
eurjchem-1781	42	2	environment	environment	NOUN
eurjchem-1781	42	3	around	around	ADP
eurjchem-1781	42	4	nickel	nickel	NOUN
eurjchem-1781	42	5	atom	atom	NOUN
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eurjchem-1781	42	7	preserved	preserve	VERB
eurjchem-1781	42	8	.	.	PUNCT
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eurjchem-1781	43	2	atoms	atom	NOUN
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eurjchem-1781	43	4	not	not	PART
eurjchem-1781	43	5	shown	show	VERB
eurjchem-1781	43	6	for	for	ADP
eurjchem-1781	43	7	clarity	clarity	NOUN
eurjchem-1781	43	8	.	.	PUNCT
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eurjchem-1781	44	2	by	by	ADP
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eurjchem-1781	44	4	software	software	NOUN
eurjchem-1781	44	5	[	[	X
eurjchem-1781	44	6	16	16	NUM
eurjchem-1781	44	7	]	]	PUNCT
eurjchem-1781	44	8	.	.	PUNCT
eurjchem-1781	45	1	figure	figure	NOUN
eurjchem-1781	45	2	2	2	NUM
eurjchem-1781	45	3	.	.	X
eurjchem-1781	45	4	molecular	molecular	ADJ
eurjchem-1781	45	5	geometry	geometry	NOUN
eurjchem-1781	45	6	of	of	ADP
eurjchem-1781	45	7	dimeric	dimeric	ADJ
eurjchem-1781	45	8	unit	unit	NOUN
eurjchem-1781	45	9	of	of	ADP
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eurjchem-1781	45	11	=	=	PUNCT
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eurjchem-1781	45	17	,	,	PUNCT
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eurjchem-1781	45	21	1d	1d	NUM
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eurjchem-1781	45	23	ni(ox)(ampy)2	ni(ox)(ampy)2	NOUN
eurjchem-1781	45	24	.	.	PUNCT
eurjchem-1781	46	1	the	the	DET
eurjchem-1781	46	2	environment	environment	NOUN
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eurjchem-1781	46	4	nickel	nickel	NOUN
eurjchem-1781	46	5	is	be	AUX
eurjchem-1781	46	6	preserved	preserve	VERB
eurjchem-1781	46	7	.	.	PUNCT
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eurjchem-1781	47	3	are	be	AUX
eurjchem-1781	47	4	not	not	PART
eurjchem-1781	47	5	shown	show	VERB
eurjchem-1781	47	6	for	for	ADP
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eurjchem-1781	47	8	.	.	PUNCT
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eurjchem-1781	48	5	[	[	X
eurjchem-1781	48	6	16	16	NUM
eurjchem-1781	48	7	]	]	PUNCT
eurjchem-1781	48	8	.	.	PUNCT
eurjchem-1781	49	1	in	in	ADP
eurjchem-1781	49	2	this	this	DET
eurjchem-1781	49	3	work	work	NOUN
eurjchem-1781	49	4	,	,	PUNCT
eurjchem-1781	49	5	we	we	PRON
eurjchem-1781	49	6	used	use	VERB
eurjchem-1781	49	7	a	a	DET
eurjchem-1781	49	8	larger	large	ADJ
eurjchem-1781	49	9	number	number	NOUN
eurjchem-1781	49	10	of	of	ADP
eurjchem-1781	49	11	functionals	functional	NOUN
eurjchem-1781	49	12	and	and	CCONJ
eurjchem-1781	49	13	different	different	ADJ
eurjchem-1781	49	14	basis	basis	NOUN
eurjchem-1781	49	15	set	set	VERB
eurjchem-1781	49	16	to	to	PART
eurjchem-1781	49	17	calculate	calculate	VERB
eurjchem-1781	49	18	j	j	PROPN
eurjchem-1781	49	19	values	value	NOUN
eurjchem-1781	49	20	for	for	ADP
eurjchem-1781	49	21	ni(en)(ox	ni(en)(ox	NOUN
eurjchem-1781	49	22	)	)	PUNCT
eurjchem-1781	49	23	and	and	CCONJ
eurjchem-1781	49	24	ni(ox)(ampy)2	ni(ox)(ampy)2	NOUN
eurjchem-1781	49	25	compounds	compound	NOUN
eurjchem-1781	49	26	which	which	PRON
eurjchem-1781	49	27	have	have	AUX
eurjchem-1781	49	28	not	not	PART
eurjchem-1781	49	29	been	be	AUX
eurjchem-1781	49	30	studied	study	VERB
eurjchem-1781	49	31	theoretically	theoretically	ADV
eurjchem-1781	49	32	before	before	ADV
eurjchem-1781	49	33	.	.	PUNCT
eurjchem-1781	50	1	2	2	X
eurjchem-1781	50	2	.	.	PUNCT
eurjchem-1781	50	3	computational	computational	ADJ
eurjchem-1781	50	4	details	detail	NOUN
eurjchem-1781	50	5	in	in	ADP
eurjchem-1781	50	6	order	order	NOUN
eurjchem-1781	50	7	to	to	PART
eurjchem-1781	50	8	estimate	estimate	VERB
eurjchem-1781	50	9	the	the	DET
eurjchem-1781	50	10	theoretically	theoretically	ADV
eurjchem-1781	50	11	j	j	PROPN
eurjchem-1781	50	12	and	and	CCONJ
eurjchem-1781	50	13	g	g	NOUN
eurjchem-1781	50	14	values	value	NOUN
eurjchem-1781	50	15	of	of	ADP
eurjchem-1781	50	16	the	the	DET
eurjchem-1781	50	17	both	both	DET
eurjchem-1781	50	18	polymers	polymer	NOUN
eurjchem-1781	50	19	,	,	PUNCT
eurjchem-1781	50	20	a	a	DET
eurjchem-1781	50	21	dimeric	dimeric	ADJ
eurjchem-1781	50	22	unit	unit	NOUN
eurjchem-1781	50	23	was	be	AUX
eurjchem-1781	50	24	used	use	VERB
eurjchem-1781	50	25	in	in	ADP
eurjchem-1781	50	26	the	the	DET
eurjchem-1781	50	27	calculations	calculation	NOUN
eurjchem-1781	50	28	(	(	PUNCT
eurjchem-1781	50	29	figures	figure	NOUN
eurjchem-1781	50	30	1	1	NUM
eurjchem-1781	50	31	and	and	CCONJ
eurjchem-1781	50	32	2	2	NUM
eurjchem-1781	50	33	)	)	PUNCT
eurjchem-1781	50	34	.	.	PUNCT
eurjchem-1781	51	1	the	the	DET
eurjchem-1781	51	2	range	range	NOUN
eurjchem-1781	51	3	-	-	PUNCT
eurjchem-1781	51	4	separated	separate	VERB
eurjchem-1781	51	5	functionals	functional	NOUN
eurjchem-1781	51	6	(	(	PUNCT
eurjchem-1781	51	7	camb3lyp	camb3lyp	X
eurjchem-1781	51	8	[	[	X
eurjchem-1781	51	9	17	17	NUM
eurjchem-1781	51	10	]	]	PUNCT
eurjchem-1781	51	11	,	,	PUNCT
eurjchem-1781	51	12	lc	lc	NOUN
eurjchem-1781	51	13	-	-	PUNCT
eurjchem-1781	51	14	blyp	blyp	NOUN
eurjchem-1781	51	15	[	[	X
eurjchem-1781	51	16	18	18	NUM
eurjchem-1781	51	17	]	]	PUNCT
eurjchem-1781	51	18	,	,	PUNCT
eurjchem-1781	51	19	wb97	wb97	PROPN
eurjchem-1781	51	20	[	[	X
eurjchem-1781	51	21	19	19	NUM
eurjchem-1781	51	22	]	]	PUNCT
eurjchem-1781	51	23	,	,	PUNCT
eurjchem-1781	51	24	wb97x	wb97x	NOUN
eurjchem-1781	52	1	[	[	X
eurjchem-1781	52	2	19	19	NUM
eurjchem-1781	52	3	]	]	PUNCT
eurjchem-1781	52	4	,	,	PUNCT
eurjchem-1781	52	5	wb97x	wb97x	NOUN
eurjchem-1781	52	6	-	-	PUNCT
eurjchem-1781	52	7	d3	d3	PROPN
eurjchem-1781	52	8	[	[	X
eurjchem-1781	52	9	20	20	NUM
eurjchem-1781	52	10	]	]	PUNCT
eurjchem-1781	52	11	and	and	CCONJ
eurjchem-1781	52	12	b2t	b2t	NOUN
eurjchem-1781	52	13	-	-	PUNCT
eurjchem-1781	52	14	plyp	plyp	NOUN
eurjchem-1781	52	15	[	[	X
eurjchem-1781	52	16	21	21	NUM
eurjchem-1781	52	17	]	]	PUNCT
eurjchem-1781	52	18	)	)	PUNCT
eurjchem-1781	52	19	are	be	AUX
eurjchem-1781	52	20	used	use	VERB
eurjchem-1781	52	21	for	for	ADP
eurjchem-1781	52	22	the	the	DET
eurjchem-1781	52	23	all	all	DET
eurjchem-1781	52	24	calculations	calculation	NOUN
eurjchem-1781	52	25	with	with	ADP
eurjchem-1781	52	26	6	6	NUM
eurjchem-1781	52	27	-	-	PUNCT
eurjchem-1781	52	28	311+g	311+g	NUM
eurjchem-1781	52	29	*	*	NOUN
eurjchem-1781	52	30	basis	basis	NOUN
eurjchem-1781	52	31	set	set	NOUN
eurjchem-1781	52	32	.	.	PUNCT
eurjchem-1781	53	1	for	for	ADP
eurjchem-1781	53	2	comparison	comparison	NOUN
eurjchem-1781	53	3	,	,	PUNCT
eurjchem-1781	53	4	the	the	DET
eurjchem-1781	53	5	b3lyp	b3lyp	X
eurjchem-1781	53	6	hybrid	hybrid	ADJ
eurjchem-1781	53	7	functional	functional	ADJ
eurjchem-1781	53	8	[	[	X
eurjchem-1781	53	9	22	22	NUM
eurjchem-1781	53	10	]	]	PUNCT
eurjchem-1781	53	11	was	be	AUX
eurjchem-1781	53	12	also	also	ADV
eurjchem-1781	53	13	used	use	VERB
eurjchem-1781	53	14	for	for	ADP
eurjchem-1781	53	15	the	the	DET
eurjchem-1781	53	16	calculation	calculation	NOUN
eurjchem-1781	53	17	of	of	ADP
eurjchem-1781	53	18	the	the	DET
eurjchem-1781	53	19	j	j	PROPN
eurjchem-1781	53	20	and	and	CCONJ
eurjchem-1781	53	21	g	g	PROPN
eurjchem-1781	53	22	values	value	NOUN
eurjchem-1781	53	23	.	.	PUNCT
eurjchem-1781	54	1	we	we	PRON
eurjchem-1781	54	2	used	use	VERB
eurjchem-1781	54	3	orca	orca	VERB
eurjchem-1781	54	4	4.01	4.01	NUM
eurjchem-1781	54	5	[	[	X
eurjchem-1781	54	6	23,24	23,24	NUM
eurjchem-1781	54	7	]	]	X
eurjchem-1781	54	8	program	program	NOUN
eurjchem-1781	54	9	for	for	ADP
eurjchem-1781	54	10	the	the	DET
eurjchem-1781	54	11	calculations	calculation	NOUN
eurjchem-1781	54	12	.	.	PUNCT
eurjchem-1781	55	1	the	the	DET
eurjchem-1781	55	2	advantage	advantage	NOUN
eurjchem-1781	55	3	of	of	ADP
eurjchem-1781	55	4	range	range	NOUN
eurjchem-1781	55	5	-	-	PUNCT
eurjchem-1781	55	6	separated	separate	VERB
eurjchem-1781	55	7	functionals	functional	NOUN
eurjchem-1781	55	8	is	be	AUX
eurjchem-1781	55	9	to	to	PART
eurjchem-1781	55	10	provide	provide	VERB
eurjchem-1781	55	11	long	long	ADJ
eurjchem-1781	55	12	range	range	NOUN
eurjchem-1781	55	13	corrections	correction	NOUN
eurjchem-1781	55	14	.	.	PUNCT
eurjchem-1781	56	1	this	this	DET
eurjchem-1781	56	2	property	property	NOUN
eurjchem-1781	56	3	is	be	AUX
eurjchem-1781	56	4	absent	absent	ADJ
eurjchem-1781	56	5	in	in	ADP
eurjchem-1781	56	6	b3lyp	b3lyp	PROPN
eurjchem-1781	56	7	and	and	CCONJ
eurjchem-1781	56	8	the	the	DET
eurjchem-1781	56	9	other	other	ADJ
eurjchem-1781	56	10	similar	similar	ADJ
eurjchem-1781	56	11	functionals	functional	NOUN
eurjchem-1781	56	12	.	.	PUNCT
eurjchem-1781	57	1	we	we	PRON
eurjchem-1781	57	2	used	use	VERB
eurjchem-1781	57	3	equation	equation	NOUN
eurjchem-1781	57	4	(	(	PUNCT
eurjchem-1781	57	5	2	2	NUM
eurjchem-1781	57	6	)	)	PUNCT
eurjchem-1781	57	7	to	to	PART
eurjchem-1781	57	8	calculate	calculate	VERB
eurjchem-1781	57	9	j	j	PROPN
eurjchem-1781	57	10	values	value	NOUN
eurjchem-1781	57	11	[	[	X
eurjchem-1781	57	12	25	25	NUM
eurjchem-1781	57	13	]	]	PUNCT
eurjchem-1781	57	14	.	.	PUNCT
eurjchem-1781	58	1	j=	j=	PROPN
eurjchem-1781	58	2	(	(	PUNCT
eurjchem-1781	58	3	e[hs	e[hs	ADV
eurjchem-1781	58	4	]	]	X
eurjchem-1781	58	5	e[bs])/smax2	e[bs])/smax2	NOUN
eurjchem-1781	58	6	(	(	PUNCT
eurjchem-1781	58	7	2	2	NUM
eurjchem-1781	58	8	)	)	PUNCT
eurjchem-1781	58	9	where	where	SCONJ
eurjchem-1781	58	10	e[hs	e[hs	ADV
eurjchem-1781	58	11	]	]	PUNCT
eurjchem-1781	58	12	and	and	CCONJ
eurjchem-1781	58	13	e[bs	e[bs	PROPN
eurjchem-1781	58	14	]	]	X
eurjchem-1781	58	15	are	be	AUX
eurjchem-1781	58	16	the	the	DET
eurjchem-1781	58	17	total	total	ADJ
eurjchem-1781	58	18	energies	energy	NOUN
eurjchem-1781	58	19	of	of	ADP
eurjchem-1781	58	20	the	the	DET
eurjchem-1781	58	21	high	high	ADJ
eurjchem-1781	58	22	spin	spin	NOUN
eurjchem-1781	58	23	and	and	CCONJ
eurjchem-1781	58	24	the	the	DET
eurjchem-1781	58	25	broken	broken	ADJ
eurjchem-1781	58	26	symmetry	symmetry	NOUN
eurjchem-1781	58	27	wave	wave	NOUN
eurjchem-1781	58	28	functions	function	NOUN
eurjchem-1781	58	29	,	,	PUNCT
eurjchem-1781	58	30	respectively	respectively	ADV
eurjchem-1781	58	31	,	,	PUNCT
eurjchem-1781	58	32	and	and	CCONJ
eurjchem-1781	58	33	smax2	smax2	NOUN
eurjchem-1781	58	34	is	be	AUX
eurjchem-1781	58	35	the	the	DET
eurjchem-1781	58	36	maximal	maximal	ADJ
eurjchem-1781	58	37	value	value	NOUN
eurjchem-1781	58	38	of	of	ADP
eurjchem-1781	58	39	the	the	DET
eurjchem-1781	58	40	spin	spin	NOUN
eurjchem-1781	58	41	squared	square	VERB
eurjchem-1781	58	42	of	of	ADP
eurjchem-1781	58	43	the	the	DET
eurjchem-1781	58	44	system	system	NOUN
eurjchem-1781	58	45	.	.	PUNCT
eurjchem-1781	59	1	in	in	ADP
eurjchem-1781	59	2	order	order	NOUN
eurjchem-1781	59	3	to	to	PART
eurjchem-1781	59	4	get	get	VERB
eurjchem-1781	59	5	good	good	ADJ
eurjchem-1781	59	6	correlation	correlation	NOUN
eurjchem-1781	59	7	of	of	ADP
eurjchem-1781	59	8	j	j	PROPN
eurjchem-1781	59	9	with	with	ADP
eurjchem-1781	59	10	the	the	DET
eurjchem-1781	59	11	geometry	geometry	NOUN
eurjchem-1781	59	12	of	of	ADP
eurjchem-1781	59	13	the	the	DET
eurjchem-1781	59	14	complexes	complex	NOUN
eurjchem-1781	59	15	,	,	PUNCT
eurjchem-1781	59	16	the	the	DET
eurjchem-1781	59	17	coordinates	coordinate	NOUN
eurjchem-1781	59	18	of	of	ADP
eurjchem-1781	59	19	the	the	DET
eurjchem-1781	59	20	atoms	atom	NOUN
eurjchem-1781	59	21	found	find	VERB
eurjchem-1781	59	22	by	by	ADP
eurjchem-1781	59	23	single	single	ADJ
eurjchem-1781	59	24	crystal	crystal	NOUN
eurjchem-1781	59	25	x	x	PROPN
eurjchem-1781	59	26	-	-	NOUN
eurjchem-1781	59	27	ray	ray	NOUN
eurjchem-1781	59	28	diffraction	diffraction	NOUN
eurjchem-1781	59	29	determinations	determination	NOUN
eurjchem-1781	59	30	[	[	X
eurjchem-1781	59	31	1,3	1,3	NUM
eurjchem-1781	59	32	]	]	PUNCT
eurjchem-1781	59	33	were	be	AUX
eurjchem-1781	59	34	used	use	VERB
eurjchem-1781	59	35	without	without	ADP
eurjchem-1781	59	36	further	further	ADJ
eurjchem-1781	59	37	optimization	optimization	NOUN
eurjchem-1781	59	38	.	.	PUNCT
eurjchem-1781	60	1	3	3	X
eurjchem-1781	60	2	.	.	NOUN
eurjchem-1781	60	3	results	result	NOUN
eurjchem-1781	60	4	and	and	CCONJ
eurjchem-1781	60	5	discussion	discussion	VERB
eurjchem-1781	60	6	the	the	DET
eurjchem-1781	60	7	magnetic	magnetic	ADJ
eurjchem-1781	60	8	properties	property	NOUN
eurjchem-1781	60	9	(	(	PUNCT
eurjchem-1781	60	10	j	j	NOUN
eurjchem-1781	60	11	,	,	PUNCT
eurjchem-1781	60	12	g	g	NOUN
eurjchem-1781	60	13	)	)	PUNCT
eurjchem-1781	60	14	of	of	ADP
eurjchem-1781	60	15	compound	compound	NOUN
eurjchem-1781	60	16	1	1	NUM
eurjchem-1781	60	17	and	and	CCONJ
eurjchem-1781	60	18	2	2	NUM
eurjchem-1781	60	19	were	be	AUX
eurjchem-1781	60	20	calculated	calculate	VERB
eurjchem-1781	60	21	by	by	ADP
eurjchem-1781	60	22	orca	orca	NOUN
eurjchem-1781	60	23	4.01	4.01	NUM
eurjchem-1781	60	24	program	program	NOUN
eurjchem-1781	60	25	using	use	VERB
eurjchem-1781	60	26	equation	equation	NOUN
eurjchem-1781	60	27	(	(	PUNCT
eurjchem-1781	60	28	2	2	NUM
eurjchem-1781	60	29	)	)	PUNCT
eurjchem-1781	60	30	for	for	ADP
eurjchem-1781	60	31	j	j	PROPN
eurjchem-1781	60	32	,	,	PUNCT
eurjchem-1781	60	33	and	and	CCONJ
eurjchem-1781	60	34	couple	couple	NOUN
eurjchem-1781	60	35	perturbed	perturb	VERB
eurjchem-1781	60	36	approach	approach	NOUN
eurjchem-1781	60	37	for	for	ADP
eurjchem-1781	60	38	g.	g.	PROPN
eurjchem-1781	60	39	several	several	ADJ
eurjchem-1781	60	40	range	range	NOUN
eurjchem-1781	60	41	-	-	PUNCT
eurjchem-1781	60	42	separated	separate	VERB
eurjchem-1781	60	43	functionals	functional	NOUN
eurjchem-1781	60	44	were	be	AUX
eurjchem-1781	60	45	utilized	utilize	VERB
eurjchem-1781	60	46	accounting	account	VERB
eurjchem-1781	60	47	for	for	ADP
eurjchem-1781	60	48	the	the	DET
eurjchem-1781	60	49	long	long	ADJ
eurjchem-1781	60	50	range	range	NOUN
eurjchem-1781	60	51	interaction	interaction	NOUN
eurjchem-1781	60	52	which	which	PRON
eurjchem-1781	60	53	is	be	AUX
eurjchem-1781	60	54	absent	absent	ADJ
eurjchem-1781	60	55	in	in	ADP
eurjchem-1781	60	56	generalized	generalized	ADJ
eurjchem-1781	60	57	gradient	gradient	NOUN
eurjchem-1781	60	58	approximation	approximation	NOUN
eurjchem-1781	60	59	(	(	PUNCT
eurjchem-1781	60	60	gga	gga	NOUN
eurjchem-1781	60	61	)	)	PUNCT
eurjchem-1781	60	62	and	and	CCONJ
eurjchem-1781	60	63	hybrid	hybrid	ADJ
eurjchem-1781	60	64	types	type	NOUN
eurjchem-1781	60	65	.	.	PUNCT
eurjchem-1781	61	1	these	these	DET
eurjchem-1781	61	2	functionals	functional	NOUN
eurjchem-1781	61	3	are	be	AUX
eurjchem-1781	61	4	mentioned	mention	VERB
eurjchem-1781	61	5	in	in	ADP
eurjchem-1781	61	6	the	the	DET
eurjchem-1781	61	7	experimental	experimental	ADJ
eurjchem-1781	61	8	section	section	NOUN
eurjchem-1781	61	9	,	,	PUNCT
eurjchem-1781	61	10	and	and	CCONJ
eurjchem-1781	61	11	are	be	AUX
eurjchem-1781	61	12	illustrated	illustrate	VERB
eurjchem-1781	61	13	in	in	ADP
eurjchem-1781	61	14	table	table	NOUN
eurjchem-1781	61	15	1	1	NUM
eurjchem-1781	61	16	together	together	ADV
eurjchem-1781	61	17	with	with	ADP
eurjchem-1781	61	18	their	their	PRON
eurjchem-1781	61	19	outcome	outcome	NOUN
eurjchem-1781	61	20	.	.	PUNCT
eurjchem-1781	62	1	the	the	DET
eurjchem-1781	62	2	experimental	experimental	ADJ
eurjchem-1781	62	3	magnetic	magnetic	ADJ
eurjchem-1781	62	4	susceptibility	susceptibility	NOUN
eurjchem-1781	62	5	(	(	PUNCT
eurjchem-1781	62	6	χ	χ	NOUN
eurjchem-1781	62	7	)	)	PUNCT
eurjchem-1781	62	8	values	value	NOUN
eurjchem-1781	62	9	in	in	ADP
eurjchem-1781	62	10	the	the	DET
eurjchem-1781	62	11	temperature	temperature	NOUN
eurjchem-1781	62	12	range	range	NOUN
eurjchem-1781	62	13	5320	5320	NUM
eurjchem-1781	62	14	k	k	NOUN
eurjchem-1781	62	15	for	for	ADP
eurjchem-1781	62	16	compound	compound	NOUN
eurjchem-1781	62	17	1	1	NUM
eurjchem-1781	62	18	and	and	CCONJ
eurjchem-1781	62	19	3.8	3.8	NUM
eurjchem-1781	62	20	-	-	SYM
eurjchem-1781	62	21	300	300	NUM
eurjchem-1781	62	22	k	k	NOUN
eurjchem-1781	62	23	for	for	ADP
eurjchem-1781	62	24	compound	compound	NOUN
eurjchem-1781	62	25	2	2	NUM
eurjchem-1781	62	26	are	be	AUX
eurjchem-1781	62	27	given	give	VERB
eurjchem-1781	62	28	in	in	ADP
eurjchem-1781	62	29	reference	reference	NOUN
eurjchem-1781	62	30	[	[	X
eurjchem-1781	62	31	1,3	1,3	NUM
eurjchem-1781	62	32	]	]	X
eurjchem-1781	62	33	.	.	PUNCT
eurjchem-1781	63	1	2018	2018	NUM
eurjchem-1781	63	2	–	–	PUNCT
eurjchem-1781	63	3	european	european	ADJ
eurjchem-1781	63	4	journal	journal	NOUN
eurjchem-1781	63	5	of	of	ADP
eurjchem-1781	63	6	chemistry	chemistry	NOUN
eurjchem-1781	63	7	–	–	PUNCT
eurjchem-1781	63	8	cc	cc	NOUN
eurjchem-1781	63	9	by	by	ADP
eurjchem-1781	63	10	nc	nc	PROPN
eurjchem-1781	63	11	–	–	PUNCT
eurjchem-1781	63	12	doi	doi	PROPN
eurjchem-1781	63	13	:	:	PUNCT
eurjchem-1781	63	14	10.5155	10.5155	NUM
eurjchem-1781	63	15	/	/	SYM
eurjchem-1781	63	16	eurjchem.9.4.382	eurjchem.9.4.382	PROPN
eurjchem-1781	63	17	-	-	PUNCT
eurjchem-1781	63	18	385.1781	385.1781	NUM
eurjchem-1781	63	19	384	384	NUM
eurjchem-1781	63	20	makhyoun	makhyoun	NOUN
eurjchem-1781	63	21	and	and	CCONJ
eurjchem-1781	63	22	massoud	massoud	PROPN
eurjchem-1781	63	23	/	/	SYM
eurjchem-1781	63	24	european	european	PROPN
eurjchem-1781	63	25	journal	journal	PROPN
eurjchem-1781	63	26	of	of	ADP
eurjchem-1781	63	27	chemistry	chemistry	NOUN
eurjchem-1781	63	28	9	9	NUM
eurjchem-1781	63	29	(	(	PUNCT
eurjchem-1781	63	30	4	4	NUM
eurjchem-1781	63	31	)	)	PUNCT
eurjchem-1781	63	32	(	(	PUNCT
eurjchem-1781	63	33	2018	2018	NUM
eurjchem-1781	63	34	)	)	PUNCT
eurjchem-1781	63	35	382	382	NUM
eurjchem-1781	63	36	-	-	SYM
eurjchem-1781	63	37	385	385	NUM
eurjchem-1781	63	38	0.000	0.000	NUM
eurjchem-1781	63	39	0.002	0.002	NUM
eurjchem-1781	63	40	0.004	0.004	NUM
eurjchem-1781	63	41	0.006	0.006	NUM
eurjchem-1781	63	42	0.008	0.008	NUM
eurjchem-1781	63	43	0.010	0.010	NUM
eurjchem-1781	63	44	0	0	NUM
eurjchem-1781	63	45	50	50	NUM
eurjchem-1781	63	46	100	100	NUM
eurjchem-1781	63	47	150	150	NUM
eurjchem-1781	63	48	200	200	NUM
eurjchem-1781	63	49	250	250	NUM
eurjchem-1781	63	50	300	300	NUM
eurjchem-1781	63	51	350	350	NUM
eurjchem-1781	63	52	m	m	NOUN
eurjchem-1781	63	53	ag	ag	PROPN
eurjchem-1781	63	54	ne	ne	PROPN
eurjchem-1781	63	55	tic	tic	PROPN
eurjchem-1781	63	56	su	su	PROPN
eurjchem-1781	63	57	sc	sc	PROPN
eurjchem-1781	63	58	ep	ep	PROPN
eurjchem-1781	63	59	tib	tib	PROPN
eurjchem-1781	63	60	ili	ili	PROPN
eurjchem-1781	64	1	ty	ty	INTJ
eurjchem-1781	64	2	(	(	PUNCT
eurjchem-1781	64	3	m	m	VERB
eurjchem-1781	64	4	ol	ol	ADJ
eurjchem-1781	64	5	-1	-1	INTJ
eurjchem-1781	64	6	.c	.c	PROPN
eurjchem-1781	65	1	m	m	PROPN
eurjchem-1781	65	2	3	3	X
eurjchem-1781	65	3	)	)	PUNCT
eurjchem-1781	65	4	t	t	PROPN
eurjchem-1781	65	5	(	(	PUNCT
eurjchem-1781	65	6	kelvin	kelvin	PROPN
eurjchem-1781	65	7	)	)	PUNCT
eurjchem-1781	65	8	a	a	DET
eurjchem-1781	65	9	b	b	NUM
eurjchem-1781	65	10	figure	figure	NOUN
eurjchem-1781	65	11	3	3	X
eurjchem-1781	65	12	.	.	PUNCT
eurjchem-1781	65	13	magnetic	magnetic	ADJ
eurjchem-1781	65	14	susceptibility	susceptibility	NOUN
eurjchem-1781	65	15	as	as	ADP
eurjchem-1781	65	16	a	a	DET
eurjchem-1781	65	17	function	function	NOUN
eurjchem-1781	65	18	of	of	ADP
eurjchem-1781	65	19	temperature	temperature	NOUN
eurjchem-1781	65	20	.	.	PUNCT
eurjchem-1781	66	1	red	red	ADJ
eurjchem-1781	66	2	line	line	NOUN
eurjchem-1781	66	3	represent	represent	VERB
eurjchem-1781	66	4	the	the	DET
eurjchem-1781	66	5	χ	χ	ADJ
eurjchem-1781	66	6	values	value	NOUN
eurjchem-1781	66	7	calculated	calculate	VERB
eurjchem-1781	66	8	using	use	VERB
eurjchem-1781	66	9	equation	equation	NOUN
eurjchem-1781	66	10	(	(	PUNCT
eurjchem-1781	66	11	1	1	NUM
eurjchem-1781	66	12	)	)	PUNCT
eurjchem-1781	66	13	and	and	CCONJ
eurjchem-1781	66	14	black	black	ADJ
eurjchem-1781	66	15	line	line	NOUN
eurjchem-1781	66	16	represent	represent	VERB
eurjchem-1781	66	17	the	the	DET
eurjchem-1781	66	18	χ	χ	ADJ
eurjchem-1781	66	19	values	value	NOUN
eurjchem-1781	66	20	calculated	calculate	VERB
eurjchem-1781	66	21	using	use	VERB
eurjchem-1781	66	22	equation	equation	NOUN
eurjchem-1781	66	23	(	(	PUNCT
eurjchem-1781	66	24	3	3	NUM
eurjchem-1781	66	25	)	)	PUNCT
eurjchem-1781	66	26	for	for	ADP
eurjchem-1781	66	27	compound	compound	NOUN
eurjchem-1781	66	28	1	1	NUM
eurjchem-1781	66	29	as	as	ADP
eurjchem-1781	66	30	a	a	DET
eurjchem-1781	66	31	function	function	NOUN
eurjchem-1781	66	32	of	of	ADP
eurjchem-1781	66	33	temperature	temperature	NOUN
eurjchem-1781	66	34	.	.	PUNCT
eurjchem-1781	67	1	0.000	0.000	NUM
eurjchem-1781	67	2	0.002	0.002	NUM
eurjchem-1781	67	3	0.004	0.004	NUM
eurjchem-1781	67	4	0.006	0.006	NUM
eurjchem-1781	67	5	0.008	0.008	NUM
eurjchem-1781	67	6	0.010	0.010	NUM
eurjchem-1781	67	7	0	0	NUM
eurjchem-1781	67	8	50	50	NUM
eurjchem-1781	67	9	100	100	NUM
eurjchem-1781	67	10	150	150	NUM
eurjchem-1781	67	11	200	200	NUM
eurjchem-1781	67	12	250	250	NUM
eurjchem-1781	67	13	300	300	NUM
eurjchem-1781	67	14	350	350	NUM
eurjchem-1781	67	15	m	m	NOUN
eurjchem-1781	67	16	ag	ag	PROPN
eurjchem-1781	67	17	ne	ne	PROPN
eurjchem-1781	67	18	tic	tic	PROPN
eurjchem-1781	67	19	su	su	PROPN
eurjchem-1781	67	20	sc	sc	PROPN
eurjchem-1781	67	21	ep	ep	PROPN
eurjchem-1781	67	22	tib	tib	PROPN
eurjchem-1781	67	23	ili	ili	PROPN
eurjchem-1781	68	1	ty	ty	INTJ
eurjchem-1781	68	2	(	(	PUNCT
eurjchem-1781	68	3	m	m	VERB
eurjchem-1781	68	4	ol	ol	ADJ
eurjchem-1781	68	5	-1	-1	INTJ
eurjchem-1781	68	6	.c	.c	PROPN
eurjchem-1781	69	1	m	m	PROPN
eurjchem-1781	69	2	3	3	X
eurjchem-1781	69	3	)	)	PUNCT
eurjchem-1781	69	4	t	t	PROPN
eurjchem-1781	69	5	(	(	PUNCT
eurjchem-1781	69	6	kelvin	kelvin	PROPN
eurjchem-1781	69	7	)	)	PUNCT
eurjchem-1781	69	8	a	a	DET
eurjchem-1781	69	9	b	b	NUM
eurjchem-1781	69	10	figure	figure	NOUN
eurjchem-1781	69	11	4	4	NUM
eurjchem-1781	69	12	.	.	PUNCT
eurjchem-1781	69	13	magnetic	magnetic	ADJ
eurjchem-1781	69	14	susceptibility	susceptibility	NOUN
eurjchem-1781	69	15	as	as	ADP
eurjchem-1781	69	16	a	a	DET
eurjchem-1781	69	17	function	function	NOUN
eurjchem-1781	69	18	of	of	ADP
eurjchem-1781	69	19	temperature	temperature	NOUN
eurjchem-1781	69	20	.	.	PUNCT
eurjchem-1781	70	1	red	red	ADJ
eurjchem-1781	70	2	line	line	NOUN
eurjchem-1781	70	3	represent	represent	VERB
eurjchem-1781	70	4	the	the	DET
eurjchem-1781	70	5	χ	χ	ADJ
eurjchem-1781	70	6	values	value	NOUN
eurjchem-1781	70	7	calculated	calculate	VERB
eurjchem-1781	70	8	using	use	VERB
eurjchem-1781	70	9	equation	equation	NOUN
eurjchem-1781	70	10	(	(	PUNCT
eurjchem-1781	70	11	1	1	NUM
eurjchem-1781	70	12	)	)	PUNCT
eurjchem-1781	70	13	and	and	CCONJ
eurjchem-1781	70	14	black	black	ADJ
eurjchem-1781	70	15	line	line	NOUN
eurjchem-1781	70	16	represent	represent	VERB
eurjchem-1781	70	17	the	the	DET
eurjchem-1781	70	18	χ	χ	ADJ
eurjchem-1781	70	19	values	value	NOUN
eurjchem-1781	70	20	calculated	calculate	VERB
eurjchem-1781	70	21	using	use	VERB
eurjchem-1781	70	22	equation	equation	NOUN
eurjchem-1781	70	23	(	(	PUNCT
eurjchem-1781	70	24	3	3	NUM
eurjchem-1781	70	25	)	)	PUNCT
eurjchem-1781	70	26	for	for	ADP
eurjchem-1781	70	27	compound	compound	NOUN
eurjchem-1781	70	28	2	2	NUM
eurjchem-1781	70	29	as	as	ADP
eurjchem-1781	70	30	a	a	DET
eurjchem-1781	70	31	function	function	NOUN
eurjchem-1781	70	32	of	of	ADP
eurjchem-1781	70	33	temperature	temperature	NOUN
eurjchem-1781	70	34	.	.	PUNCT
eurjchem-1781	71	1	in	in	ADP
eurjchem-1781	71	2	order	order	NOUN
eurjchem-1781	71	3	to	to	PART
eurjchem-1781	71	4	find	find	VERB
eurjchem-1781	71	5	the	the	DET
eurjchem-1781	71	6	j	j	NOUN
eurjchem-1781	71	7	and	and	CCONJ
eurjchem-1781	71	8	g	g	PROPN
eurjchem-1781	71	9	values	value	NOUN
eurjchem-1781	71	10	,	,	PUNCT
eurjchem-1781	71	11	they	they	PRON
eurjchem-1781	71	12	used	use	VERB
eurjchem-1781	71	13	a	a	DET
eurjchem-1781	71	14	non	non	ADJ
eurjchem-1781	71	15	-	-	ADJ
eurjchem-1781	71	16	linear	linear	ADJ
eurjchem-1781	71	17	least	least	ADJ
eurjchem-1781	71	18	square	square	ADJ
eurjchem-1781	71	19	technique	technique	NOUN
eurjchem-1781	71	20	applied	apply	VERB
eurjchem-1781	71	21	to	to	ADP
eurjchem-1781	71	22	the	the	DET
eurjchem-1781	71	23	experimental	experimental	ADJ
eurjchem-1781	71	24	data	datum	NOUN
eurjchem-1781	71	25	according	accord	VERB
eurjchem-1781	71	26	to	to	ADP
eurjchem-1781	71	27	equation	equation	NOUN
eurjchem-1781	71	28	(	(	PUNCT
eurjchem-1781	71	29	1	1	X
eurjchem-1781	71	30	)	)	PUNCT
eurjchem-1781	72	1	[	[	X
eurjchem-1781	72	2	2	2	NUM
eurjchem-1781	72	3	]	]	PUNCT
eurjchem-1781	72	4	.	.	PUNCT
eurjchem-1781	73	1	the	the	DET
eurjchem-1781	73	2	curve	curve	NOUN
eurjchem-1781	73	3	of	of	ADP
eurjchem-1781	73	4	χ	χ	PROPN
eurjchem-1781	73	5	vs	vs	ADP
eurjchem-1781	73	6	t	t	PROPN
eurjchem-1781	73	7	calculated	calculate	VERB
eurjchem-1781	73	8	according	accord	VERB
eurjchem-1781	73	9	to	to	ADP
eurjchem-1781	73	10	equation	equation	NOUN
eurjchem-1781	73	11	(	(	PUNCT
eurjchem-1781	73	12	1	1	X
eurjchem-1781	73	13	)	)	PUNCT
eurjchem-1781	73	14	fit	fit	ADJ
eurjchem-1781	73	15	very	very	ADV
eurjchem-1781	73	16	well	well	ADV
eurjchem-1781	73	17	the	the	DET
eurjchem-1781	73	18	experimental	experimental	ADJ
eurjchem-1781	73	19	curve	curve	NOUN
eurjchem-1781	73	20	except	except	SCONJ
eurjchem-1781	73	21	a	a	DET
eurjchem-1781	73	22	deviation	deviation	NOUN
eurjchem-1781	73	23	was	be	AUX
eurjchem-1781	73	24	noticed	notice	VERB
eurjchem-1781	73	25	below	below	ADP
eurjchem-1781	73	26	20	20	NUM
eurjchem-1781	73	27	k	k	NOUN
eurjchem-1781	73	28	in	in	ADP
eurjchem-1781	73	29	the	the	DET
eurjchem-1781	73	30	both	both	DET
eurjchem-1781	73	31	complexes	complex	NOUN
eurjchem-1781	73	32	.	.	PUNCT
eurjchem-1781	74	1	a	a	DET
eurjchem-1781	74	2	steep	steep	ADJ
eurjchem-1781	74	3	decrease	decrease	NOUN
eurjchem-1781	74	4	of	of	ADP
eurjchem-1781	74	5	the	the	DET
eurjchem-1781	74	6	experimental	experimental	ADJ
eurjchem-1781	74	7	curve	curve	NOUN
eurjchem-1781	74	8	in	in	ADP
eurjchem-1781	74	9	the	the	DET
eurjchem-1781	74	10	range	range	NOUN
eurjchem-1781	74	11	<	<	X
eurjchem-1781	74	12	20	20	NUM
eurjchem-1781	74	13	k	k	NOUN
eurjchem-1781	74	14	was	be	AUX
eurjchem-1781	74	15	observed	observe	VERB
eurjchem-1781	74	16	,	,	PUNCT
eurjchem-1781	74	17	which	which	PRON
eurjchem-1781	74	18	is	be	AUX
eurjchem-1781	74	19	not	not	PART
eurjchem-1781	74	20	accounted	account	VERB
eurjchem-1781	74	21	by	by	ADP
eurjchem-1781	74	22	equation	equation	NOUN
eurjchem-1781	74	23	(	(	PUNCT
eurjchem-1781	74	24	1	1	NUM
eurjchem-1781	74	25	)	)	PUNCT
eurjchem-1781	74	26	.	.	PUNCT
eurjchem-1781	75	1	they	they	PRON
eurjchem-1781	75	2	attributed	attribute	VERB
eurjchem-1781	75	3	this	this	DET
eurjchem-1781	75	4	decrease	decrease	NOUN
eurjchem-1781	75	5	as	as	ADP
eurjchem-1781	75	6	a	a	DET
eurjchem-1781	75	7	result	result	NOUN
eurjchem-1781	75	8	of	of	ADP
eurjchem-1781	75	9	what	what	PRON
eurjchem-1781	75	10	is	be	AUX
eurjchem-1781	75	11	called	call	VERB
eurjchem-1781	75	12	haldane	haldane	NOUN
eurjchem-1781	75	13	gap	gap	NOUN
eurjchem-1781	75	14	[	[	X
eurjchem-1781	75	15	26	26	NUM
eurjchem-1781	75	16	]	]	PUNCT
eurjchem-1781	75	17	.	.	PUNCT
eurjchem-1781	76	1	in	in	ADP
eurjchem-1781	76	2	this	this	DET
eurjchem-1781	76	3	work	work	NOUN
eurjchem-1781	76	4	,	,	PUNCT
eurjchem-1781	76	5	we	we	PRON
eurjchem-1781	76	6	propose	propose	VERB
eurjchem-1781	76	7	another	another	DET
eurjchem-1781	76	8	explanation	explanation	NOUN
eurjchem-1781	76	9	of	of	ADP
eurjchem-1781	76	10	the	the	DET
eurjchem-1781	76	11	steep	steep	ADJ
eurjchem-1781	76	12	part	part	NOUN
eurjchem-1781	76	13	of	of	ADP
eurjchem-1781	76	14	the	the	DET
eurjchem-1781	76	15	curve	curve	NOUN
eurjchem-1781	76	16	by	by	ADP
eurjchem-1781	76	17	applying	apply	VERB
eurjchem-1781	76	18	the	the	DET
eurjchem-1781	76	19	curie	curie	NOUN
eurjchem-1781	76	20	-	-	PUNCT
eurjchem-1781	76	21	weiss	weiss	PROPN
eurjchem-1781	76	22	law	law	NOUN
eurjchem-1781	76	23	to	to	ADP
eurjchem-1781	76	24	equation	equation	NOUN
eurjchem-1781	76	25	(	(	PUNCT
eurjchem-1781	76	26	1	1	X
eurjchem-1781	76	27	)	)	PUNCT
eurjchem-1781	76	28	leading	lead	VERB
eurjchem-1781	76	29	to	to	ADP
eurjchem-1781	76	30	equation	equation	NOUN
eurjchem-1781	76	31	(	(	PUNCT
eurjchem-1781	76	32	3	3	NUM
eurjchem-1781	76	33	)	)	PUNCT
eurjchem-1781	76	34	.	.	PUNCT
eurjchem-1781	77	1	this	this	PRON
eurjchem-1781	77	2	not	not	PART
eurjchem-1781	77	3	the	the	DET
eurjchem-1781	77	4	first	first	ADJ
eurjchem-1781	77	5	time	time	NOUN
eurjchem-1781	77	6	,	,	PUNCT
eurjchem-1781	77	7	the	the	DET
eurjchem-1781	77	8	weiss	weiss	PROPN
eurjchem-1781	77	9	constant	constant	ADJ
eurjchem-1781	77	10	was	be	AUX
eurjchem-1781	77	11	used	use	VERB
eurjchem-1781	77	12	in	in	ADP
eurjchem-1781	77	13	a	a	DET
eurjchem-1781	77	14	susceptibility	susceptibility	NOUN
eurjchem-1781	77	15	-	-	PUNCT
eurjchem-1781	77	16	temperature	temperature	NOUN
eurjchem-1781	77	17	relation	relation	NOUN
eurjchem-1781	77	18	[	[	X
eurjchem-1781	77	19	27	27	NUM
eurjchem-1781	77	20	]	]	PUNCT
eurjchem-1781	77	21	.	.	PUNCT
eurjchem-1781	78	1	(	(	PUNCT
eurjchem-1781	78	2	)	)	PUNCT
eurjchem-1781	78	3	(	(	PUNCT
eurjchem-1781	78	4	)	)	PUNCT
eurjchem-1781	78	5	(	(	PUNCT
eurjchem-1781	78	6	)	)	PUNCT
eurjchem-1781	78	7	2	2	NUM
eurjchem-1781	78	8	2	2	NUM
eurjchem-1781	78	9	2	2	NUM
eurjchem-1781	78	10	2	2	NUM
eurjchem-1781	78	11	3	3	NUM
eurjchem-1781	78	12	2	2	NUM
eurjchem-1781	78	13	0.0194	0.0194	NUM
eurjchem-1781	78	14	0.777	0.777	NUM
eurjchem-1781	78	15	nβ	nβ	ADP
eurjchem-1781	78	16	g	g	PROPN
eurjchem-1781	78	17	/k(t+θ	/k(t+θ	PRON
eurjchem-1781	78	18	)	)	PUNCT
eurjchem-1781	78	19	3	3	NUM
eurjchem-1781	79	1	4.346	4.346	NUM
eurjchem-1781	79	2	3.232	3.232	NUM
eurjchem-1781	79	3	5.834	5.834	NUM
eurjchem-1781	79	4	x	x	SYM
eurjchem-1781	79	5	x	x	PUNCT
eurjchem-1781	79	6	x	x	PUNCT
eurjchem-1781	79	7	x	x	PUNCT
eurjchem-1781	79	8	x	x	X
eurjchem-1781	79	9	χ	χ	NOUN
eurjchem-1781	79	10	+	+	X
eurjchem-1781	79	11	+	+	PUNCT
eurjchem-1781	79	12	=	=	X
eurjchem-1781	80	1	+	+	PUNCT
eurjchem-1781	80	2	+	+	PUNCT
eurjchem-1781	80	3	+	+	CCONJ
eurjchem-1781	80	4	(	(	PUNCT
eurjchem-1781	80	5	3	3	NUM
eurjchem-1781	80	6	)	)	PUNCT
eurjchem-1781	80	7	where	where	SCONJ
eurjchem-1781	80	8	θ	θ	PROPN
eurjchem-1781	80	9	is	be	AUX
eurjchem-1781	80	10	the	the	DET
eurjchem-1781	80	11	weiss	weiss	PROPN
eurjchem-1781	80	12	constant	constant	ADJ
eurjchem-1781	80	13	.	.	PUNCT
eurjchem-1781	81	1	the	the	DET
eurjchem-1781	81	2	values	value	NOUN
eurjchem-1781	81	3	of	of	ADP
eurjchem-1781	81	4	j	j	PROPN
eurjchem-1781	81	5	and	and	CCONJ
eurjchem-1781	81	6	g	g	PROPN
eurjchem-1781	81	7	parameters	parameter	NOUN
eurjchem-1781	81	8	were	be	AUX
eurjchem-1781	81	9	already	already	ADV
eurjchem-1781	81	10	published	publish	VERB
eurjchem-1781	81	11	in	in	ADP
eurjchem-1781	81	12	the	the	DET
eurjchem-1781	81	13	references	reference	NOUN
eurjchem-1781	81	14	[	[	X
eurjchem-1781	81	15	1,3	1,3	NUM
eurjchem-1781	81	16	]	]	PUNCT
eurjchem-1781	81	17	.	.	PUNCT
eurjchem-1781	82	1	these	these	DET
eurjchem-1781	82	2	values	value	NOUN
eurjchem-1781	82	3	actually	actually	ADV
eurjchem-1781	82	4	represent	represent	VERB
eurjchem-1781	82	5	the	the	DET
eurjchem-1781	82	6	experiment	experiment	NOUN
eurjchem-1781	82	7	results	result	NOUN
eurjchem-1781	82	8	due	due	ADP
eurjchem-1781	82	9	to	to	ADP
eurjchem-1781	82	10	the	the	DET
eurjchem-1781	82	11	exact	exact	ADJ
eurjchem-1781	82	12	fit	fit	NOUN
eurjchem-1781	82	13	of	of	ADP
eurjchem-1781	82	14	equation	equation	NOUN
eurjchem-1781	82	15	(	(	PUNCT
eurjchem-1781	82	16	1	1	NUM
eurjchem-1781	82	17	)	)	PUNCT
eurjchem-1781	82	18	in	in	ADP
eurjchem-1781	82	19	this	this	DET
eurjchem-1781	82	20	temperature	temperature	NOUN
eurjchem-1781	82	21	range	range	NOUN
eurjchem-1781	82	22	.	.	PUNCT
eurjchem-1781	83	1	the	the	DET
eurjchem-1781	83	2	numerical	numerical	ADJ
eurjchem-1781	83	3	values	value	NOUN
eurjchem-1781	83	4	of	of	ADP
eurjchem-1781	83	5	the	the	DET
eurjchem-1781	83	6	experimental	experimental	ADJ
eurjchem-1781	83	7	magnetic	magnetic	ADJ
eurjchem-1781	83	8	susceptibilities	susceptibility	NOUN
eurjchem-1781	83	9	were	be	AUX
eurjchem-1781	83	10	reproduced	reproduce	VERB
eurjchem-1781	83	11	here	here	ADV
eurjchem-1781	83	12	in	in	ADP
eurjchem-1781	83	13	the	the	DET
eurjchem-1781	83	14	temperature	temperature	NOUN
eurjchem-1781	83	15	range	range	NOUN
eurjchem-1781	83	16	20	20	NUM
eurjchem-1781	83	17	-	-	SYM
eurjchem-1781	83	18	350	350	NUM
eurjchem-1781	83	19	k	k	NOUN
eurjchem-1781	83	20	utilizing	utilize	VERB
eurjchem-1781	83	21	equation	equation	NOUN
eurjchem-1781	83	22	(	(	PUNCT
eurjchem-1781	83	23	1	1	NUM
eurjchem-1781	83	24	)	)	PUNCT
eurjchem-1781	83	25	.	.	PUNCT
eurjchem-1781	84	1	the	the	DET
eurjchem-1781	84	2	magnetic	magnetic	ADJ
eurjchem-1781	84	3	susceptibilities	susceptibility	NOUN
eurjchem-1781	84	4	of	of	ADP
eurjchem-1781	84	5	compound	compound	NOUN
eurjchem-1781	84	6	1	1	NUM
eurjchem-1781	84	7	and	and	CCONJ
eurjchem-1781	84	8	2	2	NUM
eurjchem-1781	84	9	were	be	AUX
eurjchem-1781	84	10	calculated	calculate	VERB
eurjchem-1781	84	11	using	use	VERB
eurjchem-1781	84	12	equation	equation	NOUN
eurjchem-1781	84	13	(	(	PUNCT
eurjchem-1781	84	14	1	1	NUM
eurjchem-1781	84	15	)	)	PUNCT
eurjchem-1781	84	16	(	(	PUNCT
eurjchem-1781	84	17	red	red	ADJ
eurjchem-1781	84	18	curve	curve	NOUN
eurjchem-1781	84	19	in	in	ADP
eurjchem-1781	84	20	figures	figure	NOUN
eurjchem-1781	84	21	3	3	NUM
eurjchem-1781	84	22	and	and	CCONJ
eurjchem-1781	84	23	4	4	NUM
eurjchem-1781	84	24	)	)	PUNCT
eurjchem-1781	84	25	,	,	PUNCT
eurjchem-1781	84	26	while	while	SCONJ
eurjchem-1781	84	27	the	the	DET
eurjchem-1781	84	28	same	same	ADJ
eurjchem-1781	84	29	susceptibilities	susceptibility	NOUN
eurjchem-1781	84	30	were	be	AUX
eurjchem-1781	84	31	also	also	ADV
eurjchem-1781	84	32	calculated	calculate	VERB
eurjchem-1781	84	33	using	use	VERB
eurjchem-1781	84	34	equation	equation	NOUN
eurjchem-1781	84	35	(	(	PUNCT
eurjchem-1781	84	36	3	3	NUM
eurjchem-1781	84	37	)	)	PUNCT
eurjchem-1781	84	38	(	(	PUNCT
eurjchem-1781	84	39	black	black	ADJ
eurjchem-1781	84	40	curve	curve	NOUN
eurjchem-1781	84	41	in	in	ADP
eurjchem-1781	84	42	figures	figure	NOUN
eurjchem-1781	84	43	3	3	NUM
eurjchem-1781	84	44	and	and	CCONJ
eurjchem-1781	84	45	4	4	NUM
eurjchem-1781	84	46	)	)	PUNCT
eurjchem-1781	84	47	.	.	PUNCT
eurjchem-1781	85	1	the	the	DET
eurjchem-1781	85	2	curve	curve	NOUN
eurjchem-1781	85	3	in	in	ADP
eurjchem-1781	85	4	the	the	DET
eurjchem-1781	85	5	range	range	NOUN
eurjchem-1781	85	6	1	1	NUM
eurjchem-1781	85	7	-	-	SYM
eurjchem-1781	85	8	20	20	NUM
eurjchem-1781	85	9	k	k	NOUN
eurjchem-1781	85	10	is	be	AUX
eurjchem-1781	85	11	an	an	DET
eurjchem-1781	85	12	extrapolated	extrapolated	ADJ
eurjchem-1781	85	13	values	value	NOUN
eurjchem-1781	85	14	using	use	VERB
eurjchem-1781	85	15	equation	equation	NOUN
eurjchem-1781	85	16	(	(	PUNCT
eurjchem-1781	85	17	3	3	NUM
eurjchem-1781	85	18	)	)	PUNCT
eurjchem-1781	85	19	.	.	PUNCT
eurjchem-1781	86	1	the	the	DET
eurjchem-1781	86	2	difference	difference	NOUN
eurjchem-1781	86	3	appears	appear	VERB
eurjchem-1781	86	4	in	in	ADP
eurjchem-1781	86	5	the	the	DET
eurjchem-1781	86	6	range	range	NOUN
eurjchem-1781	86	7	~1	~1	ADV
eurjchem-1781	86	8	-	-	SYM
eurjchem-1781	86	9	20	20	NUM
eurjchem-1781	86	10	k.	k.	NOUN
eurjchem-1781	86	11	black	black	ADJ
eurjchem-1781	86	12	curve	curve	NOUN
eurjchem-1781	86	13	(	(	PUNCT
eurjchem-1781	86	14	equation	equation	NOUN
eurjchem-1781	86	15	(	(	PUNCT
eurjchem-1781	86	16	3	3	NUM
eurjchem-1781	86	17	)	)	PUNCT
eurjchem-1781	86	18	)	)	PUNCT
eurjchem-1781	86	19	accounts	account	VERB
eurjchem-1781	86	20	for	for	ADP
eurjchem-1781	86	21	the	the	DET
eurjchem-1781	86	22	steep	steep	ADJ
eurjchem-1781	86	23	part	part	NOUN
eurjchem-1781	86	24	found	find	VERB
eurjchem-1781	86	25	the	the	DET
eurjchem-1781	86	26	experimental	experimental	ADJ
eurjchem-1781	86	27	data	datum	NOUN
eurjchem-1781	86	28	of	of	ADP
eurjchem-1781	86	29	references	reference	NOUN
eurjchem-1781	86	30	[	[	X
eurjchem-1781	86	31	1,3	1,3	NUM
eurjchem-1781	86	32	]	]	PUNCT
eurjchem-1781	86	33	,	,	PUNCT
eurjchem-1781	86	34	while	while	SCONJ
eurjchem-1781	86	35	equation	equation	NOUN
eurjchem-1781	86	36	(	(	PUNCT
eurjchem-1781	86	37	1	1	NUM
eurjchem-1781	86	38	)	)	PUNCT
eurjchem-1781	86	39	(	(	PUNCT
eurjchem-1781	86	40	red	red	ADJ
eurjchem-1781	86	41	curve	curve	NOUN
eurjchem-1781	86	42	failed	fail	VERB
eurjchem-1781	86	43	to	to	PART
eurjchem-1781	86	44	explain	explain	VERB
eurjchem-1781	86	45	this	this	DET
eurjchem-1781	86	46	range	range	NOUN
eurjchem-1781	86	47	)	)	PUNCT
eurjchem-1781	86	48	.	.	PUNCT
eurjchem-1781	87	1	new	new	ADJ
eurjchem-1781	87	2	values	value	NOUN
eurjchem-1781	87	3	of	of	ADP
eurjchem-1781	87	4	the	the	DET
eurjchem-1781	87	5	exchange	exchange	NOUN
eurjchem-1781	87	6	coupling	coupling	NOUN
eurjchem-1781	87	7	constants	constant	NOUN
eurjchem-1781	87	8	(	(	PUNCT
eurjchem-1781	87	9	j	j	NOUN
eurjchem-1781	87	10	)	)	PUNCT
eurjchem-1781	87	11	which	which	PRON
eurjchem-1781	87	12	are	be	AUX
eurjchem-1781	87	13	obtained	obtain	VERB
eurjchem-1781	87	14	by	by	ADP
eurjchem-1781	87	15	the	the	DET
eurjchem-1781	87	16	applying	apply	VERB
eurjchem-1781	87	17	equation	equation	NOUN
eurjchem-1781	87	18	(	(	PUNCT
eurjchem-1781	87	19	3	3	X
eurjchem-1781	87	20	)	)	PUNCT
eurjchem-1781	87	21	are	be	AUX
eurjchem-1781	87	22	different	different	ADJ
eurjchem-1781	87	23	from	from	ADP
eurjchem-1781	87	24	those	those	PRON
eurjchem-1781	87	25	given	give	VERB
eurjchem-1781	87	26	by	by	ADP
eurjchem-1781	87	27	references	reference	NOUN
eurjchem-1781	87	28	[	[	X
eurjchem-1781	87	29	1,3	1,3	NUM
eurjchem-1781	87	30	]	]	PUNCT
eurjchem-1781	87	31	as	as	SCONJ
eurjchem-1781	87	32	illustrated	illustrate	VERB
eurjchem-1781	87	33	in	in	ADP
eurjchem-1781	87	34	figure	figure	NOUN
eurjchem-1781	87	35	3	3	NUM
eurjchem-1781	87	36	and	and	CCONJ
eurjchem-1781	87	37	4	4	NUM
eurjchem-1781	87	38	.	.	PUNCT
eurjchem-1781	88	1	the	the	DET
eurjchem-1781	88	2	calculated	calculate	VERB
eurjchem-1781	88	3	g	g	PROPN
eurjchem-1781	88	4	values	value	NOUN
eurjchem-1781	88	5	are	be	AUX
eurjchem-1781	88	6	nearly	nearly	ADV
eurjchem-1781	88	7	the	the	DET
eurjchem-1781	88	8	same	same	ADJ
eurjchem-1781	88	9	and/or	and/or	CCONJ
eurjchem-1781	88	10	lower	low	ADJ
eurjchem-1781	88	11	than	than	ADP
eurjchem-1781	88	12	those	those	PRON
eurjchem-1781	88	13	given	give	VERB
eurjchem-1781	88	14	from	from	ADP
eurjchem-1781	88	15	equations	equation	NOUN
eurjchem-1781	88	16	(	(	PUNCT
eurjchem-1781	88	17	1	1	NUM
eurjchem-1781	88	18	)	)	PUNCT
eurjchem-1781	88	19	or	or	CCONJ
eurjchem-1781	88	20	(	(	PUNCT
eurjchem-1781	88	21	3	3	NUM
eurjchem-1781	88	22	)	)	PUNCT
eurjchem-1781	88	23	,	,	PUNCT
eurjchem-1781	88	24	table	table	NOUN
eurjchem-1781	88	25	1	1	NUM
eurjchem-1781	88	26	.	.	PUNCT
eurjchem-1781	89	1	this	this	PRON
eurjchem-1781	89	2	may	may	AUX
eurjchem-1781	89	3	be	be	AUX
eurjchem-1781	89	4	attributed	attribute	VERB
eurjchem-1781	89	5	to	to	ADP
eurjchem-1781	89	6	the	the	DET
eurjchem-1781	89	7	medium	medium	ADJ
eurjchem-1781	89	8	quality	quality	NOUN
eurjchem-1781	89	9	of	of	ADP
eurjchem-1781	89	10	the	the	DET
eurjchem-1781	89	11	basis	basis	NOUN
eurjchem-1781	89	12	set	set	NOUN
eurjchem-1781	89	13	used	use	VERB
eurjchem-1781	89	14	.	.	PUNCT
eurjchem-1781	90	1	as	as	ADP
eurjchem-1781	90	2	for	for	ADP
eurjchem-1781	90	3	j	j	PROPN
eurjchem-1781	90	4	values	value	NOUN
eurjchem-1781	90	5	according	accord	VERB
eurjchem-1781	90	6	to	to	ADP
eurjchem-1781	90	7	table	table	NOUN
eurjchem-1781	90	8	1	1	NUM
eurjchem-1781	90	9	,	,	PUNCT
eurjchem-1781	90	10	the	the	DET
eurjchem-1781	90	11	range	range	NOUN
eurjchem-1781	90	12	-	-	PUNCT
eurjchem-1781	90	13	separated	separate	VERB
eurjchem-1781	90	14	functionals	functional	NOUN
eurjchem-1781	90	15	are	be	AUX
eurjchem-1781	90	16	on	on	ADP
eurjchem-1781	90	17	the	the	DET
eurjchem-1781	90	18	average	average	NOUN
eurjchem-1781	90	19	closer	close	ADV
eurjchem-1781	90	20	to	to	ADP
eurjchem-1781	90	21	the	the	DET
eurjchem-1781	90	22	values	value	NOUN
eurjchem-1781	90	23	deduced	deduce	VERB
eurjchem-1781	90	24	from	from	ADP
eurjchem-1781	90	25	equation	equation	NOUN
eurjchem-1781	90	26	(	(	PUNCT
eurjchem-1781	90	27	3	3	NUM
eurjchem-1781	90	28	)	)	PUNCT
eurjchem-1781	90	29	involving	involve	VERB
eurjchem-1781	90	30	weiss	weiss	PROPN
eurjchem-1781	90	31	constant	constant	ADJ
eurjchem-1781	90	32	especially	especially	ADV
eurjchem-1781	90	33	cam	cam	NOUN
eurjchem-1781	90	34	-	-	PUNCT
eurjchem-1781	90	35	b3lyp	b3lyp	NOUN
eurjchem-1781	90	36	,	,	PUNCT
eurjchem-1781	90	37	wb97	wb97	PROPN
eurjchem-1781	90	38	and	and	CCONJ
eurjchem-1781	90	39	wb97x	wb97x	NOUN
eurjchem-1781	90	40	-	-	PUNCT
eurjchem-1781	90	41	d3	d3	NOUN
eurjchem-1781	90	42	for	for	ADP
eurjchem-1781	90	43	the	the	DET
eurjchem-1781	90	44	compound	compound	NOUN
eurjchem-1781	90	45	1	1	NUM
eurjchem-1781	90	46	.	.	PUNCT
eurjchem-1781	91	1	the	the	DET
eurjchem-1781	91	2	range	range	NOUN
eurjchem-1781	91	3	-	-	PUNCT
eurjchem-1781	91	4	separated	separate	VERB
eurjchem-1781	91	5	functional	functional	ADJ
eurjchem-1781	91	6	lc	lc	NOUN
eurjchem-1781	91	7	-	-	PUNCT
eurjchem-1781	91	8	omega	omega	NOUN
eurjchem-1781	91	9	-	-	NOUN
eurjchem-1781	91	10	pbe	pbe	PROPN
eurjchem-1781	91	11	has	have	AUX
eurjchem-1781	91	12	given	give	VERB
eurjchem-1781	91	13	the	the	DET
eurjchem-1781	91	14	better	well	ADJ
eurjchem-1781	91	15	results	result	NOUN
eurjchem-1781	91	16	than	than	ADP
eurjchem-1781	91	17	other	other	ADJ
eurjchem-1781	91	18	functionals	functional	NOUN
eurjchem-1781	91	19	according	accord	VERB
eurjchem-1781	91	20	to	to	ADP
eurjchem-1781	91	21	references	reference	NOUN
eurjchem-1781	91	22	[	[	X
eurjchem-1781	91	23	14,15	14,15	NUM
eurjchem-1781	91	24	]	]	PUNCT
eurjchem-1781	91	25	.	.	PUNCT
eurjchem-1781	92	1	we	we	PRON
eurjchem-1781	92	2	notice	notice	VERB
eurjchem-1781	92	3	that	that	SCONJ
eurjchem-1781	92	4	compound	compound	NOUN
eurjchem-1781	92	5	1	1	NUM
eurjchem-1781	92	6	is	be	AUX
eurjchem-1781	92	7	a	a	DET
eurjchem-1781	92	8	linear	linear	ADJ
eurjchem-1781	92	9	zigzag	zigzag	NOUN
eurjchem-1781	92	10	polymer	polymer	NOUN
eurjchem-1781	92	11	while	while	SCONJ
eurjchem-1781	92	12	compound	compound	NOUN
eurjchem-1781	92	13	2	2	NUM
eurjchem-1781	92	14	is	be	AUX
eurjchem-1781	92	15	quite	quite	ADV
eurjchem-1781	92	16	linear	linear	ADJ
eurjchem-1781	92	17	.	.	PUNCT
eurjchem-1781	93	1	this	this	PRON
eurjchem-1781	93	2	may	may	AUX
eurjchem-1781	93	3	explain	explain	VERB
eurjchem-1781	93	4	the	the	DET
eurjchem-1781	93	5	different	different	ADJ
eurjchem-1781	93	6	values	value	NOUN
eurjchem-1781	93	7	of	of	ADP
eurjchem-1781	93	8	j.	j.	PROPN
eurjchem-1781	93	9	the	the	DET
eurjchem-1781	93	10	high	high	ADJ
eurjchem-1781	93	11	values	value	NOUN
eurjchem-1781	93	12	of	of	ADP
eurjchem-1781	93	13	θ	θ	PROPN
eurjchem-1781	93	14	here	here	ADV
eurjchem-1781	93	15	although	although	SCONJ
eurjchem-1781	93	16	it	it	PRON
eurjchem-1781	93	17	is	be	AUX
eurjchem-1781	93	18	rare	rare	ADJ
eurjchem-1781	93	19	but	but	CCONJ
eurjchem-1781	93	20	are	be	AUX
eurjchem-1781	93	21	known	know	VERB
eurjchem-1781	93	22	in	in	ADP
eurjchem-1781	93	23	literature	literature	NOUN
eurjchem-1781	93	24	[	[	X
eurjchem-1781	93	25	28,29	28,29	X
eurjchem-1781	93	26	]	]	X
eurjchem-1781	93	27	.	.	PUNCT
eurjchem-1781	94	1	the	the	DET
eurjchem-1781	94	2	low	low	ADJ
eurjchem-1781	94	3	values	value	NOUN
eurjchem-1781	94	4	of	of	ADP
eurjchem-1781	94	5	j	j	PROPN
eurjchem-1781	94	6	relative	relative	ADJ
eurjchem-1781	94	7	to	to	ADP
eurjchem-1781	94	8	θ	θ	PROPN
eurjchem-1781	94	9	can	can	AUX
eurjchem-1781	94	10	be	be	AUX
eurjchem-1781	94	11	explained	explain	VERB
eurjchem-1781	94	12	to	to	PART
eurjchem-1781	94	13	be	be	AUX
eurjchem-1781	94	14	due	due	ADJ
eurjchem-1781	94	15	moderate	moderate	ADJ
eurjchem-1781	94	16	and	and	CCONJ
eurjchem-1781	94	17	weak	weak	ADJ
eurjchem-1781	94	18	magnetic	magnetic	ADJ
eurjchem-1781	94	19	coupling	coupling	NOUN
eurjchem-1781	94	20	.	.	PUNCT
eurjchem-1781	95	1	the	the	DET
eurjchem-1781	95	2	effect	effect	NOUN
eurjchem-1781	95	3	of	of	ADP
eurjchem-1781	95	4	the	the	DET
eurjchem-1781	95	5	quality	quality	NOUN
eurjchem-1781	95	6	of	of	ADP
eurjchem-1781	95	7	the	the	DET
eurjchem-1781	95	8	basis	basis	NOUN
eurjchem-1781	95	9	function	function	NOUN
eurjchem-1781	95	10	on	on	ADP
eurjchem-1781	95	11	the	the	DET
eurjchem-1781	95	12	value	value	NOUN
eurjchem-1781	95	13	of	of	ADP
eurjchem-1781	95	14	j	j	PROPN
eurjchem-1781	95	15	is	be	AUX
eurjchem-1781	95	16	also	also	ADV
eurjchem-1781	95	17	studied	study	VERB
eurjchem-1781	95	18	at	at	ADP
eurjchem-1781	95	19	fixed	fix	VERB
eurjchem-1781	95	20	functional	functional	ADJ
eurjchem-1781	95	21	for	for	ADP
eurjchem-1781	95	22	compound	compound	NOUN
eurjchem-1781	95	23	1	1	NUM
eurjchem-1781	95	24	.	.	PUNCT
eurjchem-1781	96	1	the	the	DET
eurjchem-1781	96	2	results	result	NOUN
eurjchem-1781	96	3	are	be	AUX
eurjchem-1781	96	4	shown	show	VERB
eurjchem-1781	96	5	in	in	ADP
eurjchem-1781	96	6	table	table	NOUN
eurjchem-1781	96	7	2	2	NUM
eurjchem-1781	96	8	.	.	PUNCT
eurjchem-1781	96	9	table	table	NOUN
eurjchem-1781	96	10	2	2	NUM
eurjchem-1781	96	11	.	.	PUNCT
eurjchem-1781	96	12	effect	effect	NOUN
eurjchem-1781	96	13	of	of	ADP
eurjchem-1781	96	14	basis	basis	NOUN
eurjchem-1781	96	15	set	set	VERB
eurjchem-1781	96	16	quality	quality	NOUN
eurjchem-1781	96	17	on	on	ADP
eurjchem-1781	96	18	the	the	DET
eurjchem-1781	96	19	calculated	calculate	VERB
eurjchem-1781	96	20	magnetic	magnetic	ADJ
eurjchem-1781	96	21	coupling	couple	VERB
eurjchem-1781	96	22	j	j	PROPN
eurjchem-1781	96	23	at	at	ADP
eurjchem-1781	96	24	fixed	fix	VERB
eurjchem-1781	96	25	functional	functional	ADJ
eurjchem-1781	96	26	(	(	PUNCT
eurjchem-1781	96	27	cam	cam	NOUN
eurjchem-1781	96	28	-	-	PUNCT
eurjchem-1781	96	29	b3lyp	b3lyp	NOUN
eurjchem-1781	96	30	)	)	PUNCT
eurjchem-1781	96	31	for	for	ADP
eurjchem-1781	96	32	compound	compound	NOUN
eurjchem-1781	96	33	1	1	NUM
eurjchem-1781	96	34	.	.	PUNCT
eurjchem-1781	96	35	basis	basis	NOUN
eurjchem-1781	96	36	set	set	NOUN
eurjchem-1781	96	37	j	j	PROPN
eurjchem-1781	96	38	(	(	PUNCT
eurjchem-1781	96	39	cm-1	cm-1	PROPN
eurjchem-1781	96	40	)	)	PUNCT
eurjchem-1781	96	41	svp	svp	PROPN
eurjchem-1781	96	42	-15.5	-15.5	PROPN
eurjchem-1781	96	43	def2	def2	PROPN
eurjchem-1781	96	44	-	-	PUNCT
eurjchem-1781	96	45	svp	svp	PROPN
eurjchem-1781	96	46	-14.7	-14.7	PROPN
eurjchem-1781	96	47	tzvpp	tzvpp	PROPN
eurjchem-1781	96	48	-15.7	-15.7	NUM
eurjchem-1781	96	49	6	6	NUM
eurjchem-1781	96	50	-	-	PUNCT
eurjchem-1781	96	51	311+g	311+g	NOUN
eurjchem-1781	96	52	*	*	PUNCT
eurjchem-1781	96	53	-14.43	-14.43	PROPN
eurjchem-1781	96	54	def2	def2	NOUN
eurjchem-1781	96	55	-	-	PUNCT
eurjchem-1781	96	56	tzvpp	tzvpp	NOUN
eurjchem-1781	96	57	-15.4	-15.4	NUM
eurjchem-1781	96	58	qzvpp	qzvpp	NOUN
eurjchem-1781	97	1	-15.3	-15.3	NUM
eurjchem-1781	98	1	it	it	PRON
eurjchem-1781	98	2	is	be	AUX
eurjchem-1781	98	3	quite	quite	ADV
eurjchem-1781	98	4	obvious	obvious	ADJ
eurjchem-1781	98	5	that	that	SCONJ
eurjchem-1781	98	6	in	in	ADP
eurjchem-1781	98	7	our	our	PRON
eurjchem-1781	98	8	case	case	NOUN
eurjchem-1781	98	9	,	,	PUNCT
eurjchem-1781	98	10	the	the	DET
eurjchem-1781	98	11	quality	quality	NOUN
eurjchem-1781	98	12	of	of	ADP
eurjchem-1781	98	13	the	the	DET
eurjchem-1781	98	14	basis	basis	NOUN
eurjchem-1781	98	15	set	set	NOUN
eurjchem-1781	98	16	has	have	VERB
eurjchem-1781	98	17	little	little	ADJ
eurjchem-1781	98	18	or	or	CCONJ
eurjchem-1781	98	19	no	no	PRON
eurjchem-1781	98	20	effect	effect	NOUN
eurjchem-1781	98	21	on	on	ADP
eurjchem-1781	98	22	the	the	DET
eurjchem-1781	98	23	value	value	NOUN
eurjchem-1781	98	24	of	of	ADP
eurjchem-1781	98	25	j.	j.	PROPN
eurjchem-1781	98	26	also	also	ADV
eurjchem-1781	98	27	,	,	PUNCT
eurjchem-1781	98	28	the	the	DET
eurjchem-1781	98	29	adding	add	VERB
eurjchem-1781	98	30	diffuse	diffuse	ADJ
eurjchem-1781	98	31	part	part	NOUN
eurjchem-1781	98	32	to	to	ADP
eurjchem-1781	98	33	the	the	DET
eurjchem-1781	98	34	basis	basis	NOUN
eurjchem-1781	98	35	set	set	NOUN
eurjchem-1781	98	36	is	be	AUX
eurjchem-1781	98	37	ineffective	ineffective	ADJ
eurjchem-1781	98	38	.	.	PUNCT
eurjchem-1781	99	1	although	although	SCONJ
eurjchem-1781	99	2	the	the	DET
eurjchem-1781	99	3	2018	2018	NUM
eurjchem-1781	99	4	–	–	PUNCT
eurjchem-1781	99	5	european	european	ADJ
eurjchem-1781	99	6	journal	journal	NOUN
eurjchem-1781	99	7	of	of	ADP
eurjchem-1781	99	8	chemistry	chemistry	NOUN
eurjchem-1781	99	9	–	–	PUNCT
eurjchem-1781	99	10	cc	cc	NOUN
eurjchem-1781	99	11	by	by	ADP
eurjchem-1781	99	12	nc	nc	PROPN
eurjchem-1781	99	13	–	–	PUNCT
eurjchem-1781	99	14	doi	doi	PROPN
eurjchem-1781	99	15	:	:	PUNCT
eurjchem-1781	99	16	10.5155	10.5155	NUM
eurjchem-1781	99	17	/	/	SYM
eurjchem-1781	99	18	eurjchem.9.4.382	eurjchem.9.4.382	PROPN
eurjchem-1781	99	19	-	-	PUNCT
eurjchem-1781	99	20	385.1781	385.1781	NUM
eurjchem-1781	99	21	makhyoun	makhyoun	NOUN
eurjchem-1781	99	22	and	and	CCONJ
eurjchem-1781	99	23	massoud	massoud	PROPN
eurjchem-1781	99	24	/	/	SYM
eurjchem-1781	99	25	european	european	PROPN
eurjchem-1781	99	26	journal	journal	PROPN
eurjchem-1781	99	27	of	of	ADP
eurjchem-1781	99	28	chemistry	chemistry	NOUN
eurjchem-1781	99	29	9	9	NUM
eurjchem-1781	99	30	(	(	PUNCT
eurjchem-1781	99	31	4	4	NUM
eurjchem-1781	99	32	)	)	PUNCT
eurjchem-1781	99	33	(	(	PUNCT
eurjchem-1781	99	34	2018	2018	NUM
eurjchem-1781	99	35	)	)	PUNCT
eurjchem-1781	99	36	382	382	NUM
eurjchem-1781	99	37	-	-	SYM
eurjchem-1781	99	38	385	385	NUM
eurjchem-1781	99	39	385	385	NUM
eurjchem-1781	99	40	difference	difference	NOUN
eurjchem-1781	99	41	in	in	ADP
eurjchem-1781	99	42	energy	energy	NOUN
eurjchem-1781	99	43	between	between	ADP
eurjchem-1781	99	44	the	the	DET
eurjchem-1781	99	45	triplet	triplet	NOUN
eurjchem-1781	99	46	wavefunction	wavefunction	NOUN
eurjchem-1781	99	47	and	and	CCONJ
eurjchem-1781	99	48	the	the	DET
eurjchem-1781	99	49	broken	broken	ADJ
eurjchem-1781	99	50	symmetry	symmetry	NOUN
eurjchem-1781	99	51	function	function	NOUN
eurjchem-1781	99	52	is	be	AUX
eurjchem-1781	99	53	very	very	ADV
eurjchem-1781	99	54	small	small	ADJ
eurjchem-1781	99	55	(	(	PUNCT
eurjchem-1781	99	56	few	few	ADJ
eurjchem-1781	99	57	cm-1	cm-1	NOUN
eurjchem-1781	99	58	)	)	PUNCT
eurjchem-1781	99	59	,	,	PUNCT
eurjchem-1781	99	60	we	we	PRON
eurjchem-1781	99	61	think	think	VERB
eurjchem-1781	99	62	that	that	SCONJ
eurjchem-1781	99	63	this	this	DET
eurjchem-1781	99	64	small	small	ADJ
eurjchem-1781	99	65	amount	amount	NOUN
eurjchem-1781	99	66	should	should	AUX
eurjchem-1781	99	67	be	be	AUX
eurjchem-1781	99	68	affected	affect	VERB
eurjchem-1781	99	69	by	by	ADP
eurjchem-1781	99	70	changing	change	VERB
eurjchem-1781	99	71	the	the	DET
eurjchem-1781	99	72	quality	quality	NOUN
eurjchem-1781	99	73	of	of	ADP
eurjchem-1781	99	74	the	the	DET
eurjchem-1781	99	75	basis	basis	NOUN
eurjchem-1781	99	76	set	set	NOUN
eurjchem-1781	99	77	.	.	PUNCT
eurjchem-1781	100	1	4	4	X
eurjchem-1781	100	2	.	.	X
eurjchem-1781	100	3	conclusions	conclusion	NOUN
eurjchem-1781	100	4	the	the	DET
eurjchem-1781	100	5	purpose	purpose	NOUN
eurjchem-1781	100	6	of	of	ADP
eurjchem-1781	100	7	this	this	DET
eurjchem-1781	100	8	research	research	NOUN
eurjchem-1781	100	9	is	be	AUX
eurjchem-1781	100	10	to	to	PART
eurjchem-1781	100	11	calculate	calculate	VERB
eurjchem-1781	100	12	two	two	NUM
eurjchem-1781	100	13	magnetic	magnetic	ADJ
eurjchem-1781	100	14	parameters	parameter	NOUN
eurjchem-1781	100	15	(	(	PUNCT
eurjchem-1781	100	16	j	j	NOUN
eurjchem-1781	100	17	and	and	CCONJ
eurjchem-1781	100	18	g	g	NOUN
eurjchem-1781	100	19	)	)	PUNCT
eurjchem-1781	100	20	for	for	ADP
eurjchem-1781	100	21	two	two	NUM
eurjchem-1781	100	22	nickel(ii	nickel(ii	ADJ
eurjchem-1781	100	23	)	)	PUNCT
eurjchem-1781	100	24	polymers	polymer	NOUN
eurjchem-1781	100	25	.	.	PUNCT
eurjchem-1781	101	1	we	we	PRON
eurjchem-1781	101	2	use	use	VERB
eurjchem-1781	101	3	different	different	ADJ
eurjchem-1781	101	4	exchange	exchange	NOUN
eurjchem-1781	101	5	correlation	correlation	NOUN
eurjchem-1781	101	6	functionals	functional	NOUN
eurjchem-1781	101	7	under	under	ADP
eurjchem-1781	101	8	the	the	DET
eurjchem-1781	101	9	dft	dft	PROPN
eurjchem-1781	101	10	approximation	approximation	NOUN
eurjchem-1781	101	11	.	.	PUNCT
eurjchem-1781	102	1	the	the	DET
eurjchem-1781	102	2	calculated	calculated	ADJ
eurjchem-1781	102	3	j	j	PROPN
eurjchem-1781	102	4	due	due	ADP
eurjchem-1781	102	5	to	to	ADP
eurjchem-1781	102	6	some	some	DET
eurjchem-1781	102	7	types	type	NOUN
eurjchem-1781	102	8	of	of	ADP
eurjchem-1781	102	9	rangeseparated	rangeseparate	VERB
eurjchem-1781	102	10	functionals	functional	NOUN
eurjchem-1781	102	11	using	use	VERB
eurjchem-1781	102	12	the	the	DET
eurjchem-1781	102	13	orca	orca	NOUN
eurjchem-1781	102	14	program	program	NOUN
eurjchem-1781	102	15	in	in	ADP
eurjchem-1781	102	16	most	most	ADJ
eurjchem-1781	102	17	cases	case	NOUN
eurjchem-1781	102	18	are	be	AUX
eurjchem-1781	102	19	approximately	approximately	ADV
eurjchem-1781	102	20	close	close	ADJ
eurjchem-1781	102	21	to	to	ADP
eurjchem-1781	102	22	the	the	DET
eurjchem-1781	102	23	values	value	NOUN
eurjchem-1781	102	24	found	find	VERB
eurjchem-1781	102	25	by	by	ADP
eurjchem-1781	102	26	us	we	PRON
eurjchem-1781	102	27	applying	apply	VERB
eurjchem-1781	102	28	equation	equation	NOUN
eurjchem-1781	102	29	(	(	PUNCT
eurjchem-1781	102	30	3	3	NUM
eurjchem-1781	102	31	)	)	PUNCT
eurjchem-1781	102	32	.	.	PUNCT
eurjchem-1781	103	1	the	the	DET
eurjchem-1781	103	2	weiss	weiss	PROPN
eurjchem-1781	103	3	constant	constant	ADJ
eurjchem-1781	103	4	was	be	AUX
eurjchem-1781	103	5	added	add	VERB
eurjchem-1781	103	6	to	to	ADP
eurjchem-1781	103	7	equation	equation	NOUN
eurjchem-1781	103	8	(	(	PUNCT
eurjchem-1781	103	9	1	1	NUM
eurjchem-1781	103	10	)	)	PUNCT
eurjchem-1781	103	11	to	to	PART
eurjchem-1781	103	12	obtain	obtain	VERB
eurjchem-1781	103	13	equation	equation	NOUN
eurjchem-1781	103	14	(	(	PUNCT
eurjchem-1781	103	15	3	3	NUM
eurjchem-1781	103	16	)	)	PUNCT
eurjchem-1781	103	17	.	.	PUNCT
eurjchem-1781	104	1	the	the	DET
eurjchem-1781	104	2	new	new	ADJ
eurjchem-1781	104	3	equation	equation	NOUN
eurjchem-1781	104	4	was	be	AUX
eurjchem-1781	104	5	able	able	ADJ
eurjchem-1781	104	6	to	to	PART
eurjchem-1781	104	7	explain	explain	VERB
eurjchem-1781	104	8	the	the	DET
eurjchem-1781	104	9	steep	steep	ADJ
eurjchem-1781	104	10	part	part	NOUN
eurjchem-1781	104	11	in	in	ADP
eurjchem-1781	104	12	the	the	DET
eurjchem-1781	104	13	temperature	temperature	NOUN
eurjchem-1781	104	14	range	range	NOUN
eurjchem-1781	104	15	<	<	X
eurjchem-1781	104	16	20	20	NUM
eurjchem-1781	104	17	k	k	NOUN
eurjchem-1781	104	18	of	of	ADP
eurjchem-1781	104	19	the	the	DET
eurjchem-1781	104	20	experimental	experimental	ADJ
eurjchem-1781	104	21	curve	curve	NOUN
eurjchem-1781	104	22	(	(	PUNCT
eurjchem-1781	104	23	χ	χ	X
eurjchem-1781	104	24	vs	vs	ADP
eurjchem-1781	104	25	t	t	PROPN
eurjchem-1781	104	26	)	)	PUNCT
eurjchem-1781	104	27	,	,	PUNCT
eurjchem-1781	104	28	which	which	PRON
eurjchem-1781	104	29	is	be	AUX
eurjchem-1781	104	30	not	not	PART
eurjchem-1781	104	31	explainable	explainable	ADJ
eurjchem-1781	104	32	by	by	ADP
eurjchem-1781	104	33	equation	equation	NOUN
eurjchem-1781	104	34	(	(	PUNCT
eurjchem-1781	104	35	1	1	NUM
eurjchem-1781	104	36	)	)	PUNCT
eurjchem-1781	104	37	.	.	PUNCT
eurjchem-1781	105	1	we	we	PRON
eurjchem-1781	105	2	recommend	recommend	VERB
eurjchem-1781	105	3	testing	test	VERB
eurjchem-1781	105	4	the	the	DET
eurjchem-1781	105	5	cam	cam	NOUN
eurjchem-1781	105	6	-	-	PUNCT
eurjchem-1781	105	7	b3lyp	b3lyp	NOUN
eurjchem-1781	105	8	,	,	PUNCT
eurjchem-1781	105	9	wb97	wb97	PROPN
eurjchem-1781	105	10	and	and	CCONJ
eurjchem-1781	105	11	wb97x	wb97x	NOUN
eurjchem-1781	105	12	-	-	PUNCT
eurjchem-1781	105	13	d3	d3	NOUN
eurjchem-1781	105	14	functionals	functional	NOUN
eurjchem-1781	105	15	for	for	ADP
eurjchem-1781	105	16	other	other	ADJ
eurjchem-1781	105	17	system	system	NOUN
eurjchem-1781	105	18	not	not	PART
eurjchem-1781	105	19	studied	study	VERB
eurjchem-1781	105	20	in	in	ADP
eurjchem-1781	105	21	this	this	DET
eurjchem-1781	105	22	work	work	NOUN
eurjchem-1781	105	23	based	base	VERB
eurjchem-1781	105	24	on	on	ADP
eurjchem-1781	105	25	their	their	PRON
eurjchem-1781	105	26	roughly	roughly	ADV
eurjchem-1781	105	27	approximating	approximate	VERB
eurjchem-1781	105	28	the	the	DET
eurjchem-1781	105	29	values	value	NOUN
eurjchem-1781	105	30	of	of	ADP
eurjchem-1781	105	31	j.	j.	PROPN
eurjchem-1781	105	32	for	for	ADP
eurjchem-1781	105	33	compound	compound	NOUN
eurjchem-1781	105	34	2	2	NUM
eurjchem-1781	105	35	,	,	PUNCT
eurjchem-1781	105	36	we	we	PRON
eurjchem-1781	105	37	found	find	VERB
eurjchem-1781	105	38	that	that	SCONJ
eurjchem-1781	105	39	the	the	DET
eurjchem-1781	105	40	best	well	ADV
eurjchem-1781	105	41	functional	functional	ADJ
eurjchem-1781	105	42	that	that	PRON
eurjchem-1781	105	43	reproduce	reproduce	NOUN
eurjchem-1781	105	44	j	j	PROPN
eurjchem-1781	105	45	is	be	AUX
eurjchem-1781	105	46	b2tplyp	b2tplyp	ADJ
eurjchem-1781	105	47	.	.	PUNCT
eurjchem-1781	106	1	these	these	DET
eurjchem-1781	106	2	results	result	NOUN
eurjchem-1781	106	3	lead	lead	VERB
eurjchem-1781	106	4	us	we	PRON
eurjchem-1781	106	5	to	to	ADP
eurjchem-1781	106	6	the	the	DET
eurjchem-1781	106	7	conclusion	conclusion	NOUN
eurjchem-1781	106	8	that	that	SCONJ
eurjchem-1781	106	9	the	the	DET
eurjchem-1781	106	10	best	good	ADJ
eurjchem-1781	106	11	functional	functional	ADJ
eurjchem-1781	106	12	for	for	ADP
eurjchem-1781	106	13	calculating	calculate	VERB
eurjchem-1781	106	14	j	j	PROPN
eurjchem-1781	106	15	is	be	AUX
eurjchem-1781	106	16	compound	compound	ADV
eurjchem-1781	106	17	dependent	dependent	ADJ
eurjchem-1781	106	18	.	.	PUNCT
eurjchem-1781	107	1	acknowledgement	acknowledgement	NOUN
eurjchem-1781	107	2	we	we	PRON
eurjchem-1781	107	3	are	be	AUX
eurjchem-1781	107	4	deeply	deeply	ADV
eurjchem-1781	107	5	appreciating	appreciate	VERB
eurjchem-1781	107	6	the	the	DET
eurjchem-1781	107	7	support	support	NOUN
eurjchem-1781	107	8	given	give	VERB
eurjchem-1781	107	9	by	by	ADP
eurjchem-1781	107	10	the	the	DET
eurjchem-1781	107	11	chemistry	chemistry	NOUN
eurjchem-1781	107	12	department	department	NOUN
eurjchem-1781	107	13	,	,	PUNCT
eurjchem-1781	107	14	faculty	faculty	NOUN
eurjchem-1781	107	15	of	of	ADP
eurjchem-1781	107	16	science	science	NOUN
eurjchem-1781	107	17	,	,	PUNCT
eurjchem-1781	107	18	alexandria	alexandria	PROPN
eurjchem-1781	107	19	university	university	PROPN
eurjchem-1781	107	20	,	,	PUNCT
eurjchem-1781	107	21	egypt	egypt	PROPN
eurjchem-1781	107	22	.	.	PUNCT
eurjchem-1781	108	1	disclosure	disclosure	NOUN
eurjchem-1781	108	2	statement	statement	NOUN
eurjchem-1781	108	3	conflict	conflict	NOUN
eurjchem-1781	108	4	of	of	ADP
eurjchem-1781	108	5	interests	interest	NOUN
eurjchem-1781	108	6	:	:	PUNCT
eurjchem-1781	108	7	the	the	DET
eurjchem-1781	108	8	authors	author	NOUN
eurjchem-1781	108	9	declare	declare	VERB
eurjchem-1781	108	10	that	that	SCONJ
eurjchem-1781	108	11	they	they	PRON
eurjchem-1781	108	12	have	have	VERB
eurjchem-1781	108	13	no	no	DET
eurjchem-1781	108	14	conflict	conflict	NOUN
eurjchem-1781	108	15	of	of	ADP
eurjchem-1781	108	16	interest	interest	NOUN
eurjchem-1781	108	17	.	.	PUNCT
eurjchem-1781	109	1	author	author	NOUN
eurjchem-1781	109	2	contributions	contribution	NOUN
eurjchem-1781	109	3	:	:	PUNCT
eurjchem-1781	109	4	all	all	DET
eurjchem-1781	109	5	authors	author	NOUN
eurjchem-1781	109	6	contributed	contribute	VERB
eurjchem-1781	109	7	equally	equally	ADV
eurjchem-1781	109	8	to	to	ADP
eurjchem-1781	109	9	this	this	DET
eurjchem-1781	109	10	work	work	NOUN
eurjchem-1781	109	11	.	.	PUNCT
eurjchem-1781	110	1	ethical	ethical	ADJ
eurjchem-1781	110	2	approval	approval	NOUN
eurjchem-1781	110	3	:	:	PUNCT
eurjchem-1781	111	1	all	all	DET
eurjchem-1781	111	2	ethical	ethical	ADJ
eurjchem-1781	111	3	guidelines	guideline	NOUN
eurjchem-1781	111	4	have	have	AUX
eurjchem-1781	111	5	been	be	AUX
eurjchem-1781	111	6	adhered	adhere	VERB
eurjchem-1781	111	7	.	.	PUNCT
eurjchem-1781	112	1	orcid	orcid	PROPN
eurjchem-1781	112	2	mohamed	mohamed	PROPN
eurjchem-1781	112	3	abdalla	abdalla	PROPN
eurjchem-1781	112	4	makhyoun	makhyoun	PROPN
eurjchem-1781	112	5	http://orcid.org/0000-0002-8249-3528	http://orcid.org/0000-0002-8249-3528	PROPN
eurjchem-1781	112	6	raghdaa	raghdaa	PROPN
eurjchem-1781	112	7	adel	adel	PROPN
eurjchem-1781	112	8	massoud	massoud	PROPN
eurjchem-1781	112	9	http://orcid.org/0000-0002-8389-0576	http://orcid.org/0000-0002-8389-0576	PROPN
eurjchem-1781	112	10	references	reference	NOUN
eurjchem-1781	112	11	[	[	X
eurjchem-1781	112	12	1	1	NUM
eurjchem-1781	112	13	]	]	PUNCT
eurjchem-1781	112	14	.	.	PUNCT
eurjchem-1781	113	1	chun	chun	PROPN
eurjchem-1781	113	2	,	,	PUNCT
eurjchem-1781	113	3	j.	j.	PROPN
eurjchem-1781	113	4	;	;	PUNCT
eurjchem-1781	113	5	lee	lee	PROPN
eurjchem-1781	113	6	,	,	PUNCT
eurjchem-1781	113	7	y.	y.	PROPN
eurjchem-1781	113	8	;	;	PUNCT
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eurjchem-1781	113	12	;	;	PUNCT
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eurjchem-1781	113	15	,	,	PUNCT
eurjchem-1781	113	16	c.	c.	PROPN
eurjchem-1781	113	17	;	;	PUNCT
eurjchem-1781	113	18	kim	kim	PROPN
eurjchem-1781	113	19	,	,	PUNCT
eurjchem-1781	113	20	s.	s.	PROPN
eurjchem-1781	113	21	;	;	PUNCT
eurjchem-1781	113	22	yun	yun	PROPN
eurjchem-1781	113	23	,	,	PUNCT
eurjchem-1781	113	24	h.	h.	PROPN
eurjchem-1781	113	25	;	;	PUNCT
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eurjchem-1781	113	30	korean	korean	PROPN
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eurjchem-1781	114	2	.	.	PUNCT
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eurjchem-1781	115	2	,	,	PUNCT
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eurjchem-1781	115	4	,	,	PUNCT
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eurjchem-1781	115	6	-	-	SYM
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eurjchem-1781	115	8	.	.	PUNCT
eurjchem-1781	116	1	[	[	X
eurjchem-1781	116	2	2	2	NUM
eurjchem-1781	116	3	]	]	PUNCT
eurjchem-1781	116	4	.	.	PUNCT
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eurjchem-1781	117	2	,	,	PUNCT
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eurjchem-1781	117	6	,	,	PUNCT
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eurjchem-1781	117	8	;	;	PUNCT
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eurjchem-1781	117	12	;	;	PUNCT
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eurjchem-1781	117	14	,	,	PUNCT
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eurjchem-1781	117	16	;	;	PUNCT
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eurjchem-1781	117	21	.	.	PUNCT
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eurjchem-1781	118	2	.	.	PUNCT
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eurjchem-1781	119	2	,	,	PUNCT
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eurjchem-1781	119	4	,	,	PUNCT
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eurjchem-1781	119	6	-	-	SYM
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eurjchem-1781	119	8	.	.	PUNCT
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eurjchem-1781	120	4	.	.	PUNCT
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eurjchem-1781	121	2	,	,	PUNCT
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eurjchem-1781	121	4	;	;	PUNCT
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eurjchem-1781	121	6	,	,	PUNCT
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eurjchem-1781	121	8	;	;	PUNCT
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eurjchem-1781	121	12	;	;	PUNCT
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eurjchem-1781	121	14	,	,	PUNCT
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eurjchem-1781	121	18	,	,	PUNCT
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eurjchem-1781	121	21	.	.	PUNCT
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eurjchem-1781	122	2	.	.	PUNCT
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eurjchem-1781	123	2	,	,	PUNCT
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eurjchem-1781	123	4	,	,	PUNCT
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eurjchem-1781	123	6	-	-	SYM
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eurjchem-1781	123	8	.	.	PUNCT
eurjchem-1781	124	1	[	[	X
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eurjchem-1781	124	3	]	]	PUNCT
eurjchem-1781	124	4	.	.	PUNCT
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eurjchem-1781	125	2	,	,	PUNCT
eurjchem-1781	125	3	o.	o.	PROPN
eurjchem-1781	125	4	;	;	PUNCT
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eurjchem-1781	125	6	,	,	PUNCT
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eurjchem-1781	125	8	;	;	PUNCT
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eurjchem-1781	125	21	.	.	PUNCT
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eurjchem-1781	126	2	.	.	PUNCT
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eurjchem-1781	127	2	,	,	PUNCT
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eurjchem-1781	127	4	,	,	PUNCT
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eurjchem-1781	128	3	]	]	PUNCT
eurjchem-1781	128	4	.	.	PUNCT
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eurjchem-1781	129	2	,	,	PUNCT
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eurjchem-1781	131	3	.	.	PUNCT
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eurjchem-1781	132	2	.	.	PUNCT
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eurjchem-1781	133	2	,	,	PUNCT
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eurjchem-1781	133	4	,	,	PUNCT
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eurjchem-1781	133	6	-	-	SYM
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eurjchem-1781	133	8	.	.	PUNCT
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eurjchem-1781	134	2	6	6	NUM
eurjchem-1781	134	3	]	]	PUNCT
eurjchem-1781	134	4	.	.	PUNCT
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eurjchem-1781	134	8	;	;	PUNCT
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eurjchem-1781	134	11	s.	s.	PROPN
eurjchem-1781	134	12	;	;	PUNCT
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eurjchem-1781	134	14	,	,	PUNCT
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eurjchem-1781	134	16	;	;	PUNCT
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eurjchem-1781	134	18	,	,	PUNCT
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eurjchem-1781	134	20	;	;	PUNCT
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eurjchem-1781	134	22	,	,	PUNCT
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eurjchem-1781	134	24	;	;	PUNCT
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eurjchem-1781	134	26	,	,	PUNCT
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eurjchem-1781	134	28	;	;	PUNCT
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eurjchem-1781	134	41	;	;	PUNCT
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eurjchem-1781	134	43	,	,	PUNCT
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eurjchem-1781	134	45	;	;	PUNCT
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eurjchem-1781	135	2	.	.	PUNCT
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eurjchem-1781	136	2	,	,	PUNCT
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eurjchem-1781	136	4	,	,	PUNCT
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eurjchem-1781	136	6	-	-	SYM
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eurjchem-1781	136	8	.	.	PUNCT
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eurjchem-1781	137	4	.	.	PUNCT
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eurjchem-1781	138	2	-	-	PUNCT
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eurjchem-1781	138	4	,	,	PUNCT
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eurjchem-1781	138	6	;	;	PUNCT
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eurjchem-1781	138	8	-	-	PUNCT
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eurjchem-1781	138	14	-	-	PUNCT
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eurjchem-1781	138	18	;	;	PUNCT
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eurjchem-1781	138	22	;	;	PUNCT
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eurjchem-1781	138	24	-	-	PUNCT
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eurjchem-1781	138	26	,	,	PUNCT
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eurjchem-1781	139	1	j.	j.	PROPN
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eurjchem-1781	139	3	.	.	PUNCT
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eurjchem-1781	140	2	.	.	PUNCT
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eurjchem-1781	141	2	,	,	PUNCT
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eurjchem-1781	141	6	-	-	SYM
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eurjchem-1781	143	20	;	;	PUNCT
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eurjchem-1781	143	25	j.	j.	PROPN
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eurjchem-1781	144	2	.	.	PUNCT
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eurjchem-1781	145	2	,	,	PUNCT
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eurjchem-1781	145	6	-	-	SYM
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eurjchem-1781	147	8	;	;	PUNCT
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eurjchem-1781	147	12	;	;	PUNCT
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eurjchem-1781	147	16	;	;	PUNCT
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eurjchem-1781	147	21	.	.	PUNCT
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eurjchem-1781	150	5	;	;	PUNCT
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eurjchem-1781	152	2	,	,	PUNCT
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eurjchem-1781	153	11	,	,	PUNCT
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eurjchem-1781	153	14	;	;	PUNCT
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eurjchem-1781	153	16	,	,	PUNCT
eurjchem-1781	153	17	w.	w.	PROPN
eurjchem-1781	153	18	e.	e.	PROPN
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eurjchem-1781	153	20	.	.	PUNCT
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eurjchem-1781	154	2	.	.	PUNCT
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eurjchem-1781	155	2	,	,	PUNCT
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eurjchem-1781	155	4	,	,	PUNCT
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eurjchem-1781	155	6	.	.	PUNCT
eurjchem-1781	156	1	[	[	X
eurjchem-1781	156	2	12	12	NUM
eurjchem-1781	156	3	]	]	PUNCT
eurjchem-1781	156	4	.	.	PUNCT
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eurjchem-1781	157	2	,	,	PUNCT
eurjchem-1781	157	3	r.	r.	PROPN
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eurjchem-1781	157	5	;	;	PUNCT
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eurjchem-1781	157	9	,	,	PUNCT
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eurjchem-1781	157	11	;	;	PUNCT
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eurjchem-1781	157	13	,	,	PUNCT
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eurjchem-1781	157	15	a.	a.	PROPN
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eurjchem-1781	157	17	j.	j.	PROPN
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eurjchem-1781	157	19	.	.	PUNCT
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eurjchem-1781	158	2	,	,	PUNCT
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eurjchem-1781	158	4	,	,	PUNCT
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eurjchem-1781	158	6	-	-	SYM
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eurjchem-1781	158	8	.	.	PUNCT
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eurjchem-1781	159	3	]	]	PUNCT
eurjchem-1781	159	4	.	.	PUNCT
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eurjchem-1781	160	2	,	,	PUNCT
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eurjchem-1781	160	4	;	;	PUNCT
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eurjchem-1781	160	6	,	,	PUNCT
eurjchem-1781	160	7	d.	d.	PROPN
eurjchem-1781	160	8	a.	a.	PROPN
eurjchem-1781	160	9	;	;	PUNCT
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eurjchem-1781	160	11	,	,	PUNCT
eurjchem-1781	160	12	t.	t.	PROPN
eurjchem-1781	160	13	;	;	PUNCT
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eurjchem-1781	160	18	.	.	PUNCT
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eurjchem-1781	161	2	.	.	PUNCT
eurjchem-1781	162	1	2009	2009	NUM
eurjchem-1781	162	2	,	,	PUNCT
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eurjchem-1781	162	4	,	,	PUNCT
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eurjchem-1781	162	6	-	-	SYM
eurjchem-1781	162	7	7260	7260	NUM
eurjchem-1781	162	8	.	.	PUNCT
eurjchem-1781	163	1	[	[	X
eurjchem-1781	163	2	14	14	NUM
eurjchem-1781	163	3	]	]	PUNCT
eurjchem-1781	163	4	.	.	PUNCT
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eurjchem-1781	164	2	,	,	PUNCT
eurjchem-1781	164	3	j.	j.	PROPN
eurjchem-1781	164	4	e.	e.	PROPN
eurjchem-1781	164	5	;	;	PUNCT
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eurjchem-1781	164	7	,	,	PUNCT
eurjchem-1781	164	8	j.	j.	PROPN
eurjchem-1781	164	9	i	i	PROPN
eurjchem-1781	164	10	j.	j.	PROPN
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eurjchem-1781	164	12	.	.	PUNCT
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eurjchem-1781	165	3	.	.	PUNCT
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eurjchem-1781	166	2	,	,	PUNCT
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eurjchem-1781	166	4	,	,	PUNCT
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eurjchem-1781	166	6	-	-	SYM
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eurjchem-1781	166	8	.	.	PUNCT
eurjchem-1781	167	1	[	[	X
eurjchem-1781	167	2	15	15	NUM
eurjchem-1781	167	3	]	]	PUNCT
eurjchem-1781	167	4	.	.	PUNCT
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eurjchem-1781	167	6	,	,	PUNCT
eurjchem-1781	167	7	p.	p.	PROPN
eurjchem-1781	167	8	;	;	PUNCT
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eurjchem-1781	167	14	;	;	PUNCT
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eurjchem-1781	167	17	p.	p.	PROPN
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eurjchem-1781	167	19	;	;	PUNCT
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eurjchem-1781	167	21	,	,	PUNCT
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eurjchem-1781	167	23	;	;	PUNCT
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eurjchem-1781	167	25	,	,	PUNCT
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eurjchem-1781	167	27	e.	e.	PROPN
eurjchem-1781	167	28	j.	j.	PROPN
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eurjchem-1781	167	30	.	.	PUNCT
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eurjchem-1781	168	2	.	.	PUNCT
eurjchem-1781	169	1	2008	2008	NUM
eurjchem-1781	169	2	,	,	PUNCT
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eurjchem-1781	169	4	,	,	PUNCT
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eurjchem-1781	169	6	-	-	SYM
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eurjchem-1781	170	1	[	[	X
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eurjchem-1781	170	3	]	]	PUNCT
eurjchem-1781	170	4	.	.	PUNCT
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eurjchem-1781	171	2	,	,	PUNCT
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eurjchem-1781	171	4	a.	a.	PROPN
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eurjchem-1781	173	3	]	]	PUNCT
eurjchem-1781	173	4	.	.	PUNCT
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eurjchem-1781	174	2	,	,	PUNCT
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eurjchem-1781	174	4	;	;	PUNCT
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eurjchem-1781	174	6	,	,	PUNCT
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eurjchem-1781	174	8	;	;	PUNCT
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eurjchem-1781	174	14	.	.	PUNCT
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eurjchem-1781	175	2	.	.	PUNCT
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eurjchem-1781	176	2	.	.	PUNCT
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eurjchem-1781	177	2	,	,	PUNCT
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eurjchem-1781	177	4	,	,	PUNCT
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eurjchem-1781	177	8	.	.	PUNCT
eurjchem-1781	178	1	[	[	X
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eurjchem-1781	178	3	]	]	SYM
eurjchem-1781	178	4	.	.	PUNCT
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eurjchem-1781	179	2	,	,	PUNCT
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eurjchem-1781	179	4	;	;	PUNCT
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eurjchem-1781	179	6	,	,	PUNCT
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eurjchem-1781	179	8	;	;	PUNCT
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eurjchem-1781	179	18	.	.	PUNCT
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eurjchem-1781	180	2	.	.	PUNCT
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eurjchem-1781	181	2	,	,	PUNCT
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eurjchem-1781	181	4	,	,	PUNCT
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eurjchem-1781	181	6	-	-	SYM
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eurjchem-1781	182	4	.	.	PUNCT
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eurjchem-1781	183	7	-	-	PUNCT
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eurjchem-1781	184	2	.	.	PUNCT
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eurjchem-1781	185	2	.	.	PUNCT
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eurjchem-1781	186	2	.	.	PUNCT
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eurjchem-1781	187	2	,	,	PUNCT
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eurjchem-1781	187	6	.	.	PUNCT
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eurjchem-1781	188	4	.	.	PUNCT
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eurjchem-1781	189	15	;	;	PUNCT
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eurjchem-1781	189	22	.	.	PUNCT
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eurjchem-1781	190	3	.	.	PUNCT
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eurjchem-1781	193	20	.	.	PUNCT
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eurjchem-1781	194	2	.	.	PUNCT
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eurjchem-1781	195	3	,	,	PUNCT
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eurjchem-1781	198	2	.	.	PUNCT
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eurjchem-1781	199	2	,	,	PUNCT
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eurjchem-1781	200	4	.	.	PUNCT
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eurjchem-1781	201	6	.	.	PUNCT
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eurjchem-1781	202	2	.	.	PUNCT
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eurjchem-1781	203	3	,	,	PUNCT
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eurjchem-1781	204	4	.	.	PUNCT
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eurjchem-1781	205	4	;	;	PUNCT
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eurjchem-1781	208	2	.	.	PUNCT
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eurjchem-1781	209	2	,	,	PUNCT
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eurjchem-1781	209	4	,	,	PUNCT
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eurjchem-1781	209	6	-	-	SYM
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eurjchem-1781	209	8	.	.	PUNCT
eurjchem-1781	210	1	[	[	X
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eurjchem-1781	210	3	]	]	PUNCT
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eurjchem-1781	212	4	.	.	PUNCT
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eurjchem-1781	213	2	,	,	PUNCT
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eurjchem-1781	213	4	,	,	PUNCT
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eurjchem-1781	213	6	-	-	SYM
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eurjchem-1781	213	8	.	.	PUNCT
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eurjchem-1781	214	3	]	]	SYM
eurjchem-1781	214	4	.	.	PUNCT
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eurjchem-1781	215	2	,	,	PUNCT
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eurjchem-1781	215	4	,	,	PUNCT
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eurjchem-1781	218	2	.	.	PUNCT
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eurjchem-1781	219	2	,	,	PUNCT
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eurjchem-1781	219	8	.	.	PUNCT
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eurjchem-1781	220	3	]	]	PUNCT
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eurjchem-1781	220	25	.	.	PUNCT
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eurjchem-1781	221	2	.	.	PUNCT
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eurjchem-1781	222	2	,	,	PUNCT
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eurjchem-1781	222	4	,	,	PUNCT
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eurjchem-1781	225	31	(	(	PUNCT
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eurjchem-1781	230	7	–	–	PUNCT
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