id	sid	tid	token	lemma	pos
eurjchem-972	1	1	untitled	untitle	VERB
eurjchem-972	1	2	european	european	PROPN
eurjchem-972	1	3	journal	journal	PROPN
eurjchem-972	1	4	of	of	ADP
eurjchem-972	1	5	chemistry	chemistry	NOUN
eurjchem-972	1	6	5	5	NUM
eurjchem-972	1	7	(	(	PUNCT
eurjchem-972	1	8	1	1	NUM
eurjchem-972	1	9	)	)	PUNCT
eurjchem-972	1	10	(	(	PUNCT
eurjchem-972	1	11	2014	2014	NUM
eurjchem-972	1	12	)	)	PUNCT
eurjchem-972	1	13	176‐180	176‐180	NUM
eurjchem-972	1	14	european	european	PROPN
eurjchem-972	1	15	journal	journal	PROPN
eurjchem-972	1	16	of	of	ADP
eurjchem-972	1	17	chemistry	chemistry	NOUN
eurjchem-972	1	18	issn	issn	PROPN
eurjchem-972	1	19	2153‐2249	2153‐2249	PROPN
eurjchem-972	1	20	(	(	PUNCT
eurjchem-972	1	21	print	print	NOUN
eurjchem-972	1	22	)	)	PUNCT
eurjchem-972	1	23	/	/	SYM
eurjchem-972	1	24	issn	issn	PROPN
eurjchem-972	1	25	2153‐2257	2153‐2257	NUM
eurjchem-972	1	26	(	(	PUNCT
eurjchem-972	1	27	online	online	ADJ
eurjchem-972	1	28	)	)	PUNCT
eurjchem-972	1	29			NOUN
eurjchem-972	1	30	2014	2014	NUM
eurjchem-972	2	1	eurjchem	eurjchem	PROPN
eurjchem-972	2	2	publishing	publish	VERB
eurjchem-972	2	3	‐	‐	NOUN
eurjchem-972	2	4	printed	print	VERB
eurjchem-972	2	5	in	in	ADP
eurjchem-972	2	6	the	the	DET
eurjchem-972	2	7	usa	usa	PROPN
eurjchem-972	2	8	http://dx.doi.org/10.5155/eurjchem.5.1.176‐180.972	http://dx.doi.org/10.5155/eurjchem.5.1.176‐180.972	PROPN
eurjchem-972	2	9	european	european	PROPN
eurjchem-972	2	10	journal	journal	PROPN
eurjchem-972	2	11	of	of	ADP
eurjchem-972	2	12	chemistry	chemistry	PROPN
eurjchem-972	2	13	journal	journal	PROPN
eurjchem-972	2	14	homepage	homepage	NOUN
eurjchem-972	2	15	:	:	PUNCT
eurjchem-972	2	16	www.eurjchem.com	www.eurjchem.com	X
eurjchem-972	3	1	a	a	DET
eurjchem-972	3	2	mössbauer	mössbauer	PROPN
eurjchem-972	3	3	study	study	NOUN
eurjchem-972	3	4	on	on	ADP
eurjchem-972	3	5	iron(ii	iron(ii	NOUN
eurjchem-972	3	6	)	)	PUNCT
eurjchem-972	3	7	complex	complex	NOUN
eurjchem-972	3	8	of	of	ADP
eurjchem-972	3	9	2‐acetyl‐1,3‐indandione	2‐acetyl‐1,3‐indandione	NOUN
eurjchem-972	3	10	⎼	⎼	PART
eurjchem-972	3	11	spin‐	spin‐	NOUN
eurjchem-972	3	12	crossover	crossover	ADP
eurjchem-972	3	13	or	or	CCONJ
eurjchem-972	3	14	structural	structural	ADJ
eurjchem-972	3	15	changes	change	NOUN
eurjchem-972	3	16	ventzislav	ventzislav	ADV
eurjchem-972	3	17	rusanov	rusanov	PROPN
eurjchem-972	3	18	a	a	PRON
eurjchem-972	3	19	,	,	PUNCT
eurjchem-972	3	20	anife	anife	PROPN
eurjchem-972	3	21	ahmedova	ahmedova	PROPN
eurjchem-972	3	22	b	b	X
eurjchem-972	3	23	,	,	PUNCT
eurjchem-972	3	24	*	*	PUNCT
eurjchem-972	3	25	and	and	CCONJ
eurjchem-972	3	26	mariana	mariana	PROPN
eurjchem-972	3	27	mitewa	mitewa	PROPN
eurjchem-972	3	28	b	b	PROPN
eurjchem-972	3	29	a	a	DET
eurjchem-972	3	30	university	university	NOUN
eurjchem-972	3	31	of	of	ADP
eurjchem-972	3	32	sofia	sofia	PROPN
eurjchem-972	3	33	,	,	PUNCT
eurjchem-972	3	34	faculty	faculty	NOUN
eurjchem-972	3	35	of	of	ADP
eurjchem-972	3	36	physics	physics	PROPN
eurjchem-972	3	37	,	,	PUNCT
eurjchem-972	3	38	department	department	NOUN
eurjchem-972	3	39	of	of	ADP
eurjchem-972	3	40	atomic	atomic	PROPN
eurjchem-972	3	41	physics	physics	PROPN
eurjchem-972	3	42	,	,	PUNCT
eurjchem-972	3	43	sofia	sofia	PROPN
eurjchem-972	3	44	,	,	PUNCT
eurjchem-972	3	45	1164	1164	NUM
eurjchem-972	3	46	,	,	PUNCT
eurjchem-972	3	47	bulgaria	bulgaria	PROPN
eurjchem-972	3	48	b	b	PROPN
eurjchem-972	3	49	university	university	PROPN
eurjchem-972	3	50	of	of	ADP
eurjchem-972	3	51	sofia	sofia	PROPN
eurjchem-972	3	52	,	,	PUNCT
eurjchem-972	3	53	faculty	faculty	NOUN
eurjchem-972	3	54	of	of	ADP
eurjchem-972	3	55	chemistry	chemistry	NOUN
eurjchem-972	3	56	and	and	CCONJ
eurjchem-972	3	57	pharmacy	pharmacy	NOUN
eurjchem-972	3	58	,	,	PUNCT
eurjchem-972	3	59	department	department	NOUN
eurjchem-972	3	60	of	of	ADP
eurjchem-972	3	61	analytical	analytical	ADJ
eurjchem-972	3	62	chemistry	chemistry	NOUN
eurjchem-972	3	63	,	,	PUNCT
eurjchem-972	3	64	sofia	sofia	PROPN
eurjchem-972	3	65	1164	1164	NUM
eurjchem-972	3	66	,	,	PUNCT
eurjchem-972	3	67	bulgaria	bulgaria	PROPN
eurjchem-972	3	68	*	*	PUNCT
eurjchem-972	3	69	corresponding	correspond	VERB
eurjchem-972	3	70	author	author	NOUN
eurjchem-972	3	71	at	at	ADP
eurjchem-972	3	72	:	:	PUNCT
eurjchem-972	3	73	university	university	PROPN
eurjchem-972	3	74	of	of	ADP
eurjchem-972	3	75	sofia	sofia	PROPN
eurjchem-972	3	76	,	,	PUNCT
eurjchem-972	3	77	faculty	faculty	NOUN
eurjchem-972	3	78	of	of	ADP
eurjchem-972	3	79	chemistry	chemistry	NOUN
eurjchem-972	3	80	and	and	CCONJ
eurjchem-972	3	81	pharmacy	pharmacy	NOUN
eurjchem-972	3	82	,	,	PUNCT
eurjchem-972	3	83	department	department	NOUN
eurjchem-972	3	84	of	of	ADP
eurjchem-972	3	85	analytical	analytical	ADJ
eurjchem-972	3	86	chemistry	chemistry	NOUN
eurjchem-972	3	87	,	,	PUNCT
eurjchem-972	3	88	sofia	sofia	PROPN
eurjchem-972	3	89	1164	1164	NUM
eurjchem-972	3	90	,	,	PUNCT
eurjchem-972	3	91	bulgaria	bulgaria	PROPN
eurjchem-972	3	92	.	.	PUNCT
eurjchem-972	4	1	tel	tel	PROPN
eurjchem-972	4	2	.	.	PUNCT
eurjchem-972	4	3	:	:	PUNCT
eurjchem-972	5	1	+359.2.8161247	+359.2.8161247	PROPN
eurjchem-972	5	2	.	.	PUNCT
eurjchem-972	6	1	fax	fax	NOUN
eurjchem-972	6	2	:	:	PUNCT
eurjchem-972	6	3	+359.2.9625438	+359.2.9625438	PROPN
eurjchem-972	6	4	.	.	PUNCT
eurjchem-972	6	5	e‐mail	e‐mail	PUNCT
eurjchem-972	7	1	address	address	NOUN
eurjchem-972	7	2	:	:	PUNCT
eurjchem-972	7	3	ahmedova@chem.uni‐sofia.bg	ahmedova@chem.uni‐sofia.bg	ADJ
eurjchem-972	7	4	(	(	PUNCT
eurjchem-972	7	5	a.	a.	NOUN
eurjchem-972	7	6	ahmedova	ahmedova	PROPN
eurjchem-972	7	7	)	)	PUNCT
eurjchem-972	7	8	.	.	PUNCT
eurjchem-972	8	1	article	article	NOUN
eurjchem-972	8	2	information	information	PROPN
eurjchem-972	8	3	abstract	abstract	ADJ
eurjchem-972	8	4	doi	doi	NOUN
eurjchem-972	8	5	:	:	PUNCT
eurjchem-972	8	6	10.5155	10.5155	NUM
eurjchem-972	8	7	/	/	SYM
eurjchem-972	8	8	eurjchem.5.1.176.180.972	eurjchem.5.1.176.180.972	PROPN
eurjchem-972	8	9	received	receive	VERB
eurjchem-972	8	10	:	:	PUNCT
eurjchem-972	8	11	15	15	NUM
eurjchem-972	8	12	november	november	PROPN
eurjchem-972	8	13	2013	2013	NUM
eurjchem-972	8	14	received	receive	VERB
eurjchem-972	8	15	in	in	ADP
eurjchem-972	8	16	revised	revise	VERB
eurjchem-972	8	17	form	form	NOUN
eurjchem-972	8	18	:	:	PUNCT
eurjchem-972	8	19	04	04	NUM
eurjchem-972	8	20	december	december	PROPN
eurjchem-972	8	21	2013	2013	NUM
eurjchem-972	8	22	accepted	accept	VERB
eurjchem-972	8	23	:	:	PUNCT
eurjchem-972	8	24	10	10	NUM
eurjchem-972	8	25	december	december	PROPN
eurjchem-972	8	26	2013	2013	NUM
eurjchem-972	8	27	online	online	NOUN
eurjchem-972	8	28	:	:	PUNCT
eurjchem-972	8	29	31	31	NUM
eurjchem-972	8	30	march	march	NOUN
eurjchem-972	8	31	2014	2014	NUM
eurjchem-972	8	32	keywords	keyword	VERB
eurjchem-972	8	33	an	an	DET
eurjchem-972	8	34	air	air	NOUN
eurjchem-972	8	35	stable	stable	ADJ
eurjchem-972	8	36	fe(ii	fe(ii	PROPN
eurjchem-972	8	37	)	)	PUNCT
eurjchem-972	8	38	complex	complex	NOUN
eurjchem-972	8	39	of	of	ADP
eurjchem-972	8	40	a	a	DET
eurjchem-972	8	41	cyclic	cyclic	NOUN
eurjchem-972	8	42	β‐triketone	β‐triketone	NUM
eurjchem-972	8	43	,	,	PUNCT
eurjchem-972	8	44	2‐acetyl‐1,3‐indandione	2‐acetyl‐1,3‐indandione	NUM
eurjchem-972	8	45	(	(	PUNCT
eurjchem-972	8	46	2aid	2aid	NUM
eurjchem-972	8	47	)	)	PUNCT
eurjchem-972	8	48	was	be	AUX
eurjchem-972	8	49	obtained	obtain	VERB
eurjchem-972	8	50	in	in	ADP
eurjchem-972	8	51	two	two	NUM
eurjchem-972	8	52	different	different	ADJ
eurjchem-972	8	53	ways	way	NOUN
eurjchem-972	8	54	and	and	CCONJ
eurjchem-972	8	55	studied	study	VERB
eurjchem-972	8	56	by	by	ADP
eurjchem-972	8	57	mössbauer	mössbauer	PROPN
eurjchem-972	8	58	spectroscopy	spectroscopy	NOUN
eurjchem-972	8	59	.	.	PUNCT
eurjchem-972	9	1	the	the	DET
eurjchem-972	9	2	mössbauer	mössbauer	PROPN
eurjchem-972	9	3	data	datum	NOUN
eurjchem-972	9	4	at	at	ADP
eurjchem-972	9	5	room	room	NOUN
eurjchem-972	9	6	temperature	temperature	NOUN
eurjchem-972	9	7	point	point	NOUN
eurjchem-972	9	8	to	to	ADP
eurjchem-972	9	9	six‐coordinated	six‐coordinate	VERB
eurjchem-972	9	10	,	,	PUNCT
eurjchem-972	9	11	high	high	ADJ
eurjchem-972	9	12	spin	spin	NOUN
eurjchem-972	9	13	fe(ii	fe(ii	PROPN
eurjchem-972	9	14	)	)	PUNCT
eurjchem-972	9	15	complex	complex	NOUN
eurjchem-972	9	16	.	.	PUNCT
eurjchem-972	10	1	the	the	DET
eurjchem-972	10	2	temperature‐	temperature‐	PROPN
eurjchem-972	10	3	dependent	dependent	ADJ
eurjchem-972	10	4	measurements	measurement	NOUN
eurjchem-972	10	5	indicate	indicate	VERB
eurjchem-972	10	6	a	a	DET
eurjchem-972	10	7	phase	phase	NOUN
eurjchem-972	10	8	transition	transition	NOUN
eurjchem-972	10	9	in	in	ADP
eurjchem-972	10	10	going	go	VERB
eurjchem-972	10	11	from	from	ADP
eurjchem-972	10	12	293	293	NUM
eurjchem-972	10	13	to	to	ADP
eurjchem-972	10	14	77	77	NUM
eurjchem-972	10	15	k.	k.	NOUN
eurjchem-972	10	16	further	far	ADV
eurjchem-972	10	17	lowering	lower	VERB
eurjchem-972	10	18	the	the	DET
eurjchem-972	10	19	temperature	temperature	NOUN
eurjchem-972	10	20	,	,	PUNCT
eurjchem-972	10	21	however	however	ADV
eurjchem-972	10	22	,	,	PUNCT
eurjchem-972	10	23	do	do	AUX
eurjchem-972	10	24	not	not	PART
eurjchem-972	10	25	cause	cause	VERB
eurjchem-972	10	26	the	the	DET
eurjchem-972	10	27	expected	expect	VERB
eurjchem-972	10	28	changes	change	NOUN
eurjchem-972	10	29	for	for	ADP
eurjchem-972	10	30	spin‐crossover	spin‐crossover	ADJ
eurjchem-972	10	31	transition	transition	NOUN
eurjchem-972	10	32	.	.	PUNCT
eurjchem-972	11	1	this	this	DET
eurjchem-972	11	2	data	datum	NOUN
eurjchem-972	11	3	provoked	provoke	VERB
eurjchem-972	11	4	application	application	NOUN
eurjchem-972	11	5	of	of	ADP
eurjchem-972	11	6	quantum	quantum	ADJ
eurjchem-972	11	7	chemical	chemical	NOUN
eurjchem-972	11	8	methods	method	NOUN
eurjchem-972	11	9	to	to	PART
eurjchem-972	11	10	determine	determine	VERB
eurjchem-972	11	11	the	the	DET
eurjchem-972	11	12	origin	origin	NOUN
eurjchem-972	11	13	of	of	ADP
eurjchem-972	11	14	the	the	DET
eurjchem-972	11	15	observed	observed	ADJ
eurjchem-972	11	16	appearance	appearance	NOUN
eurjchem-972	11	17	of	of	ADP
eurjchem-972	11	18	spectral	spectral	ADJ
eurjchem-972	11	19	component	component	NOUN
eurjchem-972	11	20	attributable	attributable	ADJ
eurjchem-972	11	21	to	to	ADP
eurjchem-972	11	22	low	low	ADJ
eurjchem-972	11	23	spin	spin	NOUN
eurjchem-972	11	24	fe(ii	fe(ii	PROPN
eurjchem-972	11	25	)	)	PUNCT
eurjchem-972	11	26	complex	complex	NOUN
eurjchem-972	11	27	at	at	ADP
eurjchem-972	11	28	77	77	NUM
eurjchem-972	11	29	k.	k.	NOUN
eurjchem-972	11	30	based	base	VERB
eurjchem-972	11	31	on	on	ADP
eurjchem-972	11	32	the	the	DET
eurjchem-972	11	33	results	result	NOUN
eurjchem-972	11	34	from	from	ADP
eurjchem-972	11	35	the	the	DET
eurjchem-972	11	36	theoretical	theoretical	ADJ
eurjchem-972	11	37	calculations	calculation	NOUN
eurjchem-972	11	38	of	of	ADP
eurjchem-972	11	39	the	the	DET
eurjchem-972	11	40	mössbauer	mössbauer	NOUN
eurjchem-972	11	41	parameters	parameter	NOUN
eurjchem-972	11	42	of	of	ADP
eurjchem-972	11	43	several	several	ADJ
eurjchem-972	11	44	different	different	ADJ
eurjchem-972	11	45	geometries	geometry	NOUN
eurjchem-972	11	46	and	and	CCONJ
eurjchem-972	11	47	spin	spin	VERB
eurjchem-972	11	48	states	state	NOUN
eurjchem-972	11	49	of	of	ADP
eurjchem-972	11	50	the	the	DET
eurjchem-972	11	51	fe	fe	NOUN
eurjchem-972	11	52	complexes	complex	NOUN
eurjchem-972	11	53	of	of	ADP
eurjchem-972	11	54	2aid	2aid	NUM
eurjchem-972	11	55	it	it	PRON
eurjchem-972	11	56	was	be	AUX
eurjchem-972	11	57	possible	possible	ADJ
eurjchem-972	11	58	to	to	PART
eurjchem-972	11	59	conclude	conclude	VERB
eurjchem-972	11	60	that	that	SCONJ
eurjchem-972	11	61	the	the	DET
eurjchem-972	11	62	obtained	obtain	VERB
eurjchem-972	11	63	fe(ii	fe(ii	PROPN
eurjchem-972	11	64	)	)	PUNCT
eurjchem-972	11	65	complex	complex	NOUN
eurjchem-972	11	66	has	have	VERB
eurjchem-972	11	67	a	a	DET
eurjchem-972	11	68	pseudo‐octahedral	pseudo‐octahedral	ADJ
eurjchem-972	11	69	geometry	geometry	NOUN
eurjchem-972	11	70	.	.	PUNCT
eurjchem-972	12	1	the	the	DET
eurjchem-972	12	2	experimentally	experimentally	ADV
eurjchem-972	12	3	observed	observe	VERB
eurjchem-972	12	4	temperature‐dependence	temperature‐dependence	NOUN
eurjchem-972	12	5	of	of	ADP
eurjchem-972	12	6	the	the	DET
eurjchem-972	12	7	mössbauer	mössbauer	PROPN
eurjchem-972	12	8	spectra	spectra	PROPN
eurjchem-972	12	9	is	be	AUX
eurjchem-972	12	10	attributed	attribute	VERB
eurjchem-972	12	11	to	to	ADP
eurjchem-972	12	12	changes	change	NOUN
eurjchem-972	12	13	of	of	ADP
eurjchem-972	12	14	the	the	DET
eurjchem-972	12	15	axial	axial	ADJ
eurjchem-972	12	16	fe‐o	fe‐o	PROPN
eurjchem-972	12	17	bonds	bond	NOUN
eurjchem-972	12	18	,	,	PUNCT
eurjchem-972	12	19	rather	rather	ADV
eurjchem-972	12	20	than	than	SCONJ
eurjchem-972	12	21	to	to	PART
eurjchem-972	12	22	spin	spin	VERB
eurjchem-972	12	23	transition	transition	NOUN
eurjchem-972	12	24	.	.	PUNCT
eurjchem-972	13	1	discussion	discussion	NOUN
eurjchem-972	13	2	is	be	AUX
eurjchem-972	13	3	given	give	VERB
eurjchem-972	13	4	on	on	ADP
eurjchem-972	13	5	the	the	DET
eurjchem-972	13	6	role	role	NOUN
eurjchem-972	13	7	of	of	ADP
eurjchem-972	13	8	the	the	DET
eurjchem-972	13	9	type	type	NOUN
eurjchem-972	13	10	of	of	ADP
eurjchem-972	13	11	the	the	DET
eurjchem-972	13	12	axial	axial	ADJ
eurjchem-972	13	13	ligands	ligand	NOUN
eurjchem-972	13	14	for	for	ADP
eurjchem-972	13	15	conditioning	condition	VERB
eurjchem-972	13	16	a	a	DET
eurjchem-972	13	17	spin‐crossover	spin‐crossover	NOUN
eurjchem-972	13	18	process	process	NOUN
eurjchem-972	13	19	,	,	PUNCT
eurjchem-972	13	20	as	as	ADP
eurjchem-972	13	21	suggestion	suggestion	NOUN
eurjchem-972	13	22	for	for	ADP
eurjchem-972	13	23	experimental	experimental	ADJ
eurjchem-972	13	24	modelling	modelling	NOUN
eurjchem-972	13	25	of	of	ADP
eurjchem-972	13	26	novel	novel	ADJ
eurjchem-972	13	27	target	target	NOUN
eurjchem-972	13	28	materials	material	NOUN
eurjchem-972	13	29	with	with	ADP
eurjchem-972	13	30	desired	desire	VERB
eurjchem-972	13	31	magnetic	magnetic	ADJ
eurjchem-972	13	32	properties	property	NOUN
eurjchem-972	13	33	.	.	PUNCT
eurjchem-972	14	1	fe(ii	fe(ii	VERB
eurjchem-972	14	2	)	)	PUNCT
eurjchem-972	14	3	complex	complex	ADJ
eurjchem-972	14	4	1,3‐indandione	1,3‐indandione	NUM
eurjchem-972	14	5	cyclic	cyclic	NOUN
eurjchem-972	14	6	triketone	triketone	NOUN
eurjchem-972	14	7	mössbauer	mössbauer	NOUN
eurjchem-972	14	8	spectroscopy	spectroscopy	VERB
eurjchem-972	14	9	intermolecular	intermolecular	ADJ
eurjchem-972	14	10	interactions	interaction	NOUN
eurjchem-972	14	11	quantum‐chemical	quantum‐chemical	ADJ
eurjchem-972	14	12	calculations	calculation	NOUN
eurjchem-972	14	13	1	1	NUM
eurjchem-972	14	14	.	.	PUNCT
eurjchem-972	15	1	introduction	introduction	NOUN
eurjchem-972	15	2	2‐acetyl‐1,3‐indandione	2‐acetyl‐1,3‐indandione	NUM
eurjchem-972	15	3	(	(	PUNCT
eurjchem-972	15	4	2aid	2aid	NUM
eurjchem-972	15	5	)	)	PUNCT
eurjchem-972	15	6	is	be	AUX
eurjchem-972	15	7	a	a	DET
eurjchem-972	15	8	cyclic	cyclic	NOUN
eurjchem-972	15	9	β‐triketone	β‐triketone	PUNCT
eurjchem-972	15	10	known	know	VERB
eurjchem-972	15	11	for	for	ADP
eurjchem-972	15	12	the	the	DET
eurjchem-972	15	13	fast	fast	ADJ
eurjchem-972	15	14	excited	excited	ADJ
eurjchem-972	15	15	state	state	NOUN
eurjchem-972	15	16	intramolecular	intramolecular	ADJ
eurjchem-972	15	17	proton	proton	NOUN
eurjchem-972	15	18	transfer	transfer	NOUN
eurjchem-972	15	19	(	(	PUNCT
eurjchem-972	15	20	esipt	esipt	NOUN
eurjchem-972	15	21	)	)	PUNCT
eurjchem-972	15	22	process	process	NOUN
eurjchem-972	15	23	it	it	PRON
eurjchem-972	15	24	can	can	AUX
eurjchem-972	15	25	undergo	undergo	VERB
eurjchem-972	15	26	upon	upon	SCONJ
eurjchem-972	15	27	irradiation	irradiation	NOUN
eurjchem-972	15	28	with	with	ADP
eurjchem-972	15	29	uv	uv	NOUN
eurjchem-972	15	30	light	light	NOUN
eurjchem-972	15	31	[	[	X
eurjchem-972	15	32	1	1	NUM
eurjchem-972	15	33	]	]	PUNCT
eurjchem-972	15	34	.	.	PUNCT
eurjchem-972	16	1	this	this	DET
eurjchem-972	16	2	phenomenon	phenomenon	NOUN
eurjchem-972	16	3	was	be	AUX
eurjchem-972	16	4	supposed	suppose	VERB
eurjchem-972	16	5	to	to	PART
eurjchem-972	16	6	explain	explain	VERB
eurjchem-972	16	7	also	also	ADV
eurjchem-972	16	8	the	the	DET
eurjchem-972	16	9	high	high	ADJ
eurjchem-972	16	10	photostability	photostability	NOUN
eurjchem-972	16	11	of	of	ADP
eurjchem-972	16	12	the	the	DET
eurjchem-972	16	13	compound	compound	NOUN
eurjchem-972	16	14	‐	‐	NOUN
eurjchem-972	16	15	another	another	DET
eurjchem-972	16	16	interesting	interesting	ADJ
eurjchem-972	16	17	feature	feature	NOUN
eurjchem-972	16	18	that	that	PRON
eurjchem-972	16	19	has	have	AUX
eurjchem-972	16	20	been	be	AUX
eurjchem-972	16	21	observed	observe	VERB
eurjchem-972	16	22	[	[	PUNCT
eurjchem-972	16	23	2	2	NUM
eurjchem-972	16	24	]	]	PUNCT
eurjchem-972	16	25	.	.	PUNCT
eurjchem-972	17	1	high	high	ADJ
eurjchem-972	17	2	photostability	photostability	NOUN
eurjchem-972	17	3	was	be	AUX
eurjchem-972	17	4	obtained	obtain	VERB
eurjchem-972	17	5	for	for	ADP
eurjchem-972	17	6	cu(ii	cu(ii	PROPN
eurjchem-972	17	7	)	)	PUNCT
eurjchem-972	17	8	and	and	CCONJ
eurjchem-972	17	9	zn(ii	zn(ii	NUM
eurjchem-972	17	10	)	)	PUNCT
eurjchem-972	17	11	metal	metal	NOUN
eurjchem-972	17	12	complexes	complex	NOUN
eurjchem-972	17	13	of	of	ADP
eurjchem-972	17	14	2aid	2aid	NUM
eurjchem-972	17	15	even	even	ADV
eurjchem-972	17	16	in	in	ADP
eurjchem-972	17	17	hydrogen‐bond	hydrogen‐bond	NOUN
eurjchem-972	17	18	breaking	break	VERB
eurjchem-972	17	19	solvents	solvent	NOUN
eurjchem-972	17	20	in	in	ADP
eurjchem-972	17	21	which	which	PRON
eurjchem-972	17	22	the	the	DET
eurjchem-972	17	23	free	free	ADJ
eurjchem-972	17	24	ligand	ligand	NOUN
eurjchem-972	17	25	loses	lose	VERB
eurjchem-972	17	26	its	its	PRON
eurjchem-972	17	27	photostability	photostability	NOUN
eurjchem-972	17	28	.	.	PUNCT
eurjchem-972	18	1	on	on	ADP
eurjchem-972	18	2	the	the	DET
eurjchem-972	18	3	other	other	ADJ
eurjchem-972	18	4	hand	hand	NOUN
eurjchem-972	18	5	,	,	PUNCT
eurjchem-972	18	6	2aid	2aid	PROPN
eurjchem-972	18	7	was	be	AUX
eurjchem-972	18	8	suggested	suggest	VERB
eurjchem-972	18	9	as	as	ADP
eurjchem-972	18	10	an	an	DET
eurjchem-972	18	11	extracting	extracting	ADJ
eurjchem-972	18	12	and	and	CCONJ
eurjchem-972	18	13	spectrophotometric	spectrophotometric	ADJ
eurjchem-972	18	14	agent	agent	NOUN
eurjchem-972	18	15	for	for	ADP
eurjchem-972	18	16	isolation	isolation	NOUN
eurjchem-972	18	17	and	and	CCONJ
eurjchem-972	18	18	detection	detection	NOUN
eurjchem-972	18	19	of	of	ADP
eurjchem-972	18	20	fe3	fe3	PROPN
eurjchem-972	18	21	+	+	NOUN
eurjchem-972	18	22	ions	ion	NOUN
eurjchem-972	18	23	[	[	X
eurjchem-972	18	24	3,4	3,4	NUM
eurjchem-972	18	25	]	]	PUNCT
eurjchem-972	18	26	and	and	CCONJ
eurjchem-972	18	27	the	the	DET
eurjchem-972	18	28	formed	form	VERB
eurjchem-972	18	29	complex	complex	NOUN
eurjchem-972	18	30	has	have	AUX
eurjchem-972	18	31	been	be	AUX
eurjchem-972	18	32	characterized	characterize	VERB
eurjchem-972	18	33	by	by	ADP
eurjchem-972	18	34	optical	optical	ADJ
eurjchem-972	18	35	methods	method	NOUN
eurjchem-972	18	36	.	.	PUNCT
eurjchem-972	19	1	challenged	challenge	VERB
eurjchem-972	19	2	by	by	ADP
eurjchem-972	19	3	the	the	DET
eurjchem-972	19	4	optical	optical	ADJ
eurjchem-972	19	5	and	and	CCONJ
eurjchem-972	19	6	complexation	complexation	NOUN
eurjchem-972	19	7	properties	property	NOUN
eurjchem-972	19	8	of	of	ADP
eurjchem-972	19	9	2aid	2aid	NUM
eurjchem-972	19	10	we	we	PRON
eurjchem-972	19	11	have	have	AUX
eurjchem-972	19	12	studied	study	VERB
eurjchem-972	19	13	a	a	DET
eurjchem-972	19	14	series	series	NOUN
eurjchem-972	19	15	of	of	ADP
eurjchem-972	19	16	its	its	PRON
eurjchem-972	19	17	metal	metal	NOUN
eurjchem-972	19	18	complexes	complex	NOUN
eurjchem-972	19	19	[	[	X
eurjchem-972	19	20	2,5,6	2,5,6	X
eurjchem-972	19	21	]	]	PUNCT
eurjchem-972	19	22	by	by	ADP
eurjchem-972	19	23	means	mean	NOUN
eurjchem-972	19	24	of	of	ADP
eurjchem-972	19	25	spectroscopic	spectroscopic	ADJ
eurjchem-972	19	26	and	and	CCONJ
eurjchem-972	19	27	theoretical	theoretical	ADJ
eurjchem-972	19	28	methods	method	NOUN
eurjchem-972	19	29	as	as	ADV
eurjchem-972	19	30	well	well	ADV
eurjchem-972	19	31	as	as	ADP
eurjchem-972	19	32	of	of	ADP
eurjchem-972	19	33	its	its	PRON
eurjchem-972	19	34	derivatives	derivative	NOUN
eurjchem-972	19	35	[	[	X
eurjchem-972	19	36	7‐9	7‐9	NOUN
eurjchem-972	19	37	]	]	X
eurjchem-972	19	38	.	.	PUNCT
eurjchem-972	20	1	x‐ray	x‐ray	ADJ
eurjchem-972	20	2	structures	structure	NOUN
eurjchem-972	20	3	of	of	ADP
eurjchem-972	20	4	metal	metal	NOUN
eurjchem-972	20	5	complexes	complex	NOUN
eurjchem-972	20	6	of	of	ADP
eurjchem-972	20	7	2aid	2aid	NUM
eurjchem-972	20	8	were	be	AUX
eurjchem-972	20	9	reported	report	VERB
eurjchem-972	20	10	for	for	ADP
eurjchem-972	20	11	the	the	DET
eurjchem-972	20	12	co(ii	co(ii	PROPN
eurjchem-972	20	13	)	)	PUNCT
eurjchem-972	21	1	[	[	X
eurjchem-972	21	2	6	6	NUM
eurjchem-972	21	3	]	]	PUNCT
eurjchem-972	21	4	and	and	CCONJ
eurjchem-972	21	5	the	the	DET
eurjchem-972	21	6	fe(iii	fe(iii	NOUN
eurjchem-972	21	7	)	)	PUNCT
eurjchem-972	22	1	[	[	X
eurjchem-972	22	2	5	5	NUM
eurjchem-972	22	3	]	]	PUNCT
eurjchem-972	22	4	complexes	complex	NOUN
eurjchem-972	22	5	along	along	ADP
eurjchem-972	22	6	with	with	ADP
eurjchem-972	22	7	detailed	detailed	ADJ
eurjchem-972	22	8	magnetochemical	magnetochemical	ADJ
eurjchem-972	22	9	,	,	PUNCT
eurjchem-972	22	10	mössbauer	mössbauer	PROPN
eurjchem-972	22	11	and	and	CCONJ
eurjchem-972	22	12	epr	epr	PROPN
eurjchem-972	22	13	data	data	PROPN
eurjchem-972	22	14	.	.	PUNCT
eurjchem-972	23	1	the	the	DET
eurjchem-972	23	2	application	application	NOUN
eurjchem-972	23	3	of	of	ADP
eurjchem-972	23	4	exhaustive	exhaustive	ADJ
eurjchem-972	23	5	mössbauer	mössbauer	NOUN
eurjchem-972	23	6	measurements	measurement	NOUN
eurjchem-972	23	7	in	in	ADP
eurjchem-972	23	8	wide	wide	ADJ
eurjchem-972	23	9	temperature	temperature	NOUN
eurjchem-972	23	10	range	range	NOUN
eurjchem-972	23	11	(	(	PUNCT
eurjchem-972	23	12	4.2‐293.0	4.2‐293.0	NOUN
eurjchem-972	23	13	k	k	NOUN
eurjchem-972	23	14	)	)	PUNCT
eurjchem-972	23	15	and	and	CCONJ
eurjchem-972	23	16	in	in	ADP
eurjchem-972	23	17	presence	presence	NOUN
eurjchem-972	23	18	of	of	ADP
eurjchem-972	23	19	strong	strong	ADJ
eurjchem-972	23	20	external	external	ADJ
eurjchem-972	23	21	magnetic	magnetic	ADJ
eurjchem-972	23	22	field	field	NOUN
eurjchem-972	23	23	on	on	ADP
eurjchem-972	23	24	the	the	DET
eurjchem-972	23	25	fe(iii	fe(iii	NOUN
eurjchem-972	23	26	)	)	PUNCT
eurjchem-972	23	27	complex	complex	NOUN
eurjchem-972	23	28	of	of	ADP
eurjchem-972	23	29	2aid	2aid	PROPN
eurjchem-972	23	30	has	have	AUX
eurjchem-972	23	31	demonstrated	demonstrate	VERB
eurjchem-972	23	32	the	the	DET
eurjchem-972	23	33	ability	ability	NOUN
eurjchem-972	23	34	of	of	ADP
eurjchem-972	23	35	the	the	DET
eurjchem-972	23	36	mössbauer	mössbauer	NOUN
eurjchem-972	23	37	spectroscopy	spectroscopy	NOUN
eurjchem-972	23	38	,	,	PUNCT
eurjchem-972	23	39	in	in	ADP
eurjchem-972	23	40	combination	combination	NOUN
eurjchem-972	23	41	with	with	ADP
eurjchem-972	23	42	theoretical	theoretical	ADJ
eurjchem-972	23	43	simulations	simulation	NOUN
eurjchem-972	23	44	,	,	PUNCT
eurjchem-972	23	45	to	to	PART
eurjchem-972	23	46	predict	predict	VERB
eurjchem-972	23	47	fine	fine	ADJ
eurjchem-972	23	48	structural	structural	ADJ
eurjchem-972	23	49	information	information	NOUN
eurjchem-972	23	50	about	about	ADP
eurjchem-972	23	51	the	the	DET
eurjchem-972	23	52	close	close	ADJ
eurjchem-972	23	53	surrounding	surrounding	NOUN
eurjchem-972	23	54	of	of	ADP
eurjchem-972	23	55	the	the	DET
eurjchem-972	23	56	ferric	ferric	ADJ
eurjchem-972	23	57	nuclei	nucleus	NOUN
eurjchem-972	23	58	[	[	X
eurjchem-972	23	59	5	5	NUM
eurjchem-972	23	60	]	]	PUNCT
eurjchem-972	23	61	.	.	PUNCT
eurjchem-972	24	1	the	the	DET
eurjchem-972	24	2	fact	fact	NOUN
eurjchem-972	24	3	that	that	SCONJ
eurjchem-972	24	4	the	the	DET
eurjchem-972	24	5	mössbauer	mössbauer	PROPN
eurjchem-972	24	6	spectral	spectral	ADJ
eurjchem-972	24	7	parameters	parameter	NOUN
eurjchem-972	24	8	:	:	PUNCT
eurjchem-972	24	9	isomer	isomer	PROPN
eurjchem-972	24	10	shift	shift	NOUN
eurjchem-972	24	11	(	(	PUNCT
eurjchem-972	24	12	δ	δ	NOUN
eurjchem-972	24	13	)	)	PUNCT
eurjchem-972	24	14	and	and	CCONJ
eurjchem-972	24	15	quadrupole	quadrupole	NOUN
eurjchem-972	24	16	splitting	splitting	NOUN
eurjchem-972	24	17	(	(	PUNCT
eurjchem-972	24	18	δeq	δeq	NOUN
eurjchem-972	24	19	)	)	PUNCT
eurjchem-972	24	20	are	be	AUX
eurjchem-972	24	21	very	very	ADV
eurjchem-972	24	22	sensitive	sensitive	ADJ
eurjchem-972	24	23	to	to	ADP
eurjchem-972	24	24	geometry	geometry	NOUN
eurjchem-972	24	25	,	,	PUNCT
eurjchem-972	24	26	oxidation	oxidation	NOUN
eurjchem-972	24	27	and	and	CCONJ
eurjchem-972	24	28	spin	spin	VERB
eurjchem-972	24	29	states	state	NOUN
eurjchem-972	24	30	of	of	ADP
eurjchem-972	24	31	fe	fe	X
eurjchem-972	24	32	nucleus	nucleus	PROPN
eurjchem-972	25	1	[	[	X
eurjchem-972	25	2	10,11	10,11	NOUN
eurjchem-972	25	3	]	]	PUNCT
eurjchem-972	25	4	allowed	allow	VERB
eurjchem-972	25	5	for	for	ADP
eurjchem-972	25	6	useful	useful	ADJ
eurjchem-972	25	7	application	application	NOUN
eurjchem-972	25	8	of	of	ADP
eurjchem-972	25	9	quantum‐chemical	quantum‐chemical	ADJ
eurjchem-972	25	10	calculations	calculation	NOUN
eurjchem-972	25	11	in	in	ADP
eurjchem-972	25	12	predicting	predict	VERB
eurjchem-972	25	13	and	and	CCONJ
eurjchem-972	25	14	verifying	verify	VERB
eurjchem-972	25	15	the	the	DET
eurjchem-972	25	16	geometric	geometric	ADJ
eurjchem-972	25	17	and	and	CCONJ
eurjchem-972	25	18	electronic	electronic	ADJ
eurjchem-972	25	19	structures	structure	NOUN
eurjchem-972	25	20	of	of	ADP
eurjchem-972	25	21	fe	fe	NOUN
eurjchem-972	25	22	sites	site	NOUN
eurjchem-972	25	23	by	by	ADP
eurjchem-972	25	24	comparing	compare	VERB
eurjchem-972	25	25	the	the	DET
eurjchem-972	25	26	computed	compute	VERB
eurjchem-972	25	27	properties	property	NOUN
eurjchem-972	25	28	with	with	ADP
eurjchem-972	25	29	experimental	experimental	ADJ
eurjchem-972	25	30	results	result	NOUN
eurjchem-972	25	31	[	[	X
eurjchem-972	25	32	12,13	12,13	NUM
eurjchem-972	25	33	]	]	PUNCT
eurjchem-972	25	34	.	.	PUNCT
eurjchem-972	26	1	the	the	DET
eurjchem-972	26	2	isomer	isomer	PROPN
eurjchem-972	26	3	shift	shift	NOUN
eurjchem-972	26	4	is	be	AUX
eurjchem-972	26	5	proportional	proportional	ADJ
eurjchem-972	26	6	to	to	ADP
eurjchem-972	26	7	the	the	DET
eurjchem-972	26	8	difference	difference	NOUN
eurjchem-972	26	9	in	in	ADP
eurjchem-972	26	10	electron	electron	NOUN
eurjchem-972	26	11	density	density	NOUN
eurjchem-972	26	12	[	[	X
eurjchem-972	26	13	ρ(0	ρ(0	PROPN
eurjchem-972	26	14	)	)	PUNCT
eurjchem-972	26	15	]	]	PUNCT
eurjchem-972	26	16	at	at	ADP
eurjchem-972	26	17	the	the	DET
eurjchem-972	26	18	studied	study	VERB
eurjchem-972	26	19	fe	fe	X
eurjchem-972	26	20	nuclei	nucleus	NOUN
eurjchem-972	26	21	and	and	CCONJ
eurjchem-972	26	22	a	a	DET
eurjchem-972	26	23	reference	reference	NOUN
eurjchem-972	26	24	system	system	NOUN
eurjchem-972	26	25	,	,	PUNCT
eurjchem-972	26	26	which	which	PRON
eurjchem-972	26	27	is	be	AUX
eurjchem-972	26	28	usually	usually	ADV
eurjchem-972	26	29	α‐fe	α‐fe	VERB
eurjchem-972	26	30	at	at	ADP
eurjchem-972	26	31	300	300	NUM
eurjchem-972	26	32	k	k	NOUN
eurjchem-972	26	33	in	in	ADP
eurjchem-972	26	34	the	the	DET
eurjchem-972	26	35	experimental	experimental	ADJ
eurjchem-972	26	36	data	datum	NOUN
eurjchem-972	26	37	.	.	PUNCT
eurjchem-972	27	1	similar	similar	ADJ
eurjchem-972	27	2	treatment	treatment	NOUN
eurjchem-972	27	3	can	can	AUX
eurjchem-972	27	4	be	be	AUX
eurjchem-972	27	5	used	use	VERB
eurjchem-972	27	6	for	for	ADP
eurjchem-972	27	7	the	the	DET
eurjchem-972	27	8	calculated	calculate	VERB
eurjchem-972	27	9	electron	electron	NOUN
eurjchem-972	27	10	density	density	NOUN
eurjchem-972	27	11	using	use	VERB
eurjchem-972	27	12	simple	simple	ADJ
eurjchem-972	27	13	correlation	correlation	NOUN
eurjchem-972	27	14	formula	formula	NOUN
eurjchem-972	27	15	,	,	PUNCT
eurjchem-972	27	16	such	such	ADJ
eurjchem-972	27	17	as	as	ADP
eurjchem-972	27	18	:	:	PUNCT
eurjchem-972	27	19	δ	δ	X
eurjchem-972	27	20	=	=	SYM
eurjchem-972	27	21	a[ρ(0	a[ρ(0	PROPN
eurjchem-972	27	22	)	)	PUNCT
eurjchem-972	27	23	‐	‐	PROPN
eurjchem-972	27	24	b	b	NOUN
eurjchem-972	27	25	]	]	X
eurjchem-972	27	26	+	+	CCONJ
eurjchem-972	27	27	c	c	X
eurjchem-972	27	28	(	(	PUNCT
eurjchem-972	27	29	1	1	NUM
eurjchem-972	27	30	)	)	PUNCT
eurjchem-972	27	31	where	where	SCONJ
eurjchem-972	27	32	b	b	NOUN
eurjchem-972	27	33	is	be	AUX
eurjchem-972	27	34	a	a	DET
eurjchem-972	27	35	constant	constant	ADJ
eurjchem-972	27	36	chosen	choose	VERB
eurjchem-972	27	37	close	close	ADV
eurjchem-972	27	38	to	to	ADP
eurjchem-972	27	39	the	the	DET
eurjchem-972	27	40	electron	electron	NOUN
eurjchem-972	27	41	density	density	NOUN
eurjchem-972	27	42	at	at	ADP
eurjchem-972	27	43	fe	fe	X
eurjchem-972	27	44	nucleus	nucleus	PROPN
eurjchem-972	27	45	in	in	ADP
eurjchem-972	27	46	the	the	DET
eurjchem-972	27	47	reference	reference	NOUN
eurjchem-972	27	48	state	state	NOUN
eurjchem-972	27	49	.	.	PUNCT
eurjchem-972	28	1	han	han	PROPN
eurjchem-972	28	2	and	and	CCONJ
eurjchem-972	28	3	noodleman	noodleman	PROPN
eurjchem-972	28	4	have	have	AUX
eurjchem-972	28	5	proposed	propose	VERB
eurjchem-972	28	6	several	several	ADJ
eurjchem-972	28	7	correlation	correlation	NOUN
eurjchem-972	28	8	formula	formula	NOUN
eurjchem-972	28	9	by	by	ADP
eurjchem-972	28	10	doing	do	VERB
eurjchem-972	28	11	linear	linear	NOUN
eurjchem-972	28	12	regression	regression	NOUN
eurjchem-972	28	13	fit	fit	NOUN
eurjchem-972	28	14	of	of	ADP
eurjchem-972	28	15	the	the	DET
eurjchem-972	28	16	calculated	calculated	ADJ
eurjchem-972	28	17	ρ(0	ρ(0	PROPN
eurjchem-972	28	18	)	)	PUNCT
eurjchem-972	28	19	and	and	CCONJ
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eurjchem-972	28	21	isomer	isomer	PROPN
eurjchem-972	28	22	shift	shift	NOUN
eurjchem-972	28	23	,	,	PUNCT
eurjchem-972	28	24	is	be	AUX
eurjchem-972	28	25	,	,	PUNCT
eurjchem-972	28	26	as	as	ADV
eurjchem-972	28	27	well	well	ADV
eurjchem-972	28	28	as	as	ADP
eurjchem-972	28	29	for	for	ADP
eurjchem-972	28	30	the	the	DET
eurjchem-972	28	31	quadrupole	quadrupole	NOUN
eurjchem-972	28	32	splitting	splitting	NOUN
eurjchem-972	28	33	,	,	PUNCT
eurjchem-972	28	34	qs	qs	ADP
eurjchem-972	28	35	,	,	PUNCT
eurjchem-972	28	36	on	on	ADP
eurjchem-972	28	37	large	large	ADJ
eurjchem-972	28	38	sets	set	NOUN
eurjchem-972	28	39	of	of	ADP
eurjchem-972	28	40	experimentally	experimentally	ADV
eurjchem-972	28	41	availble	availble	ADJ
eurjchem-972	28	42	data	datum	NOUN
eurjchem-972	28	43	and	and	CCONJ
eurjchem-972	28	44	using	use	VERB
eurjchem-972	28	45	different	different	ADJ
eurjchem-972	28	46	theoretical	theoretical	ADJ
eurjchem-972	28	47	models	model	NOUN
eurjchem-972	28	48	[	[	X
eurjchem-972	28	49	14‐16	14‐16	NUM
eurjchem-972	28	50	]	]	PUNCT
eurjchem-972	28	51	.	.	PUNCT
eurjchem-972	29	1	rusanov	rusanov	PROPN
eurjchem-972	29	2	et	et	PROPN
eurjchem-972	29	3	al	al	PROPN
eurjchem-972	29	4	.	.	PUNCT
eurjchem-972	29	5	/	/	SYM
eurjchem-972	29	6	european	european	PROPN
eurjchem-972	29	7	journal	journal	PROPN
eurjchem-972	29	8	of	of	ADP
eurjchem-972	29	9	chemistry	chemistry	NOUN
eurjchem-972	29	10	5	5	NUM
eurjchem-972	29	11	(	(	PUNCT
eurjchem-972	29	12	1	1	NUM
eurjchem-972	29	13	)	)	PUNCT
eurjchem-972	29	14	(	(	PUNCT
eurjchem-972	29	15	2014	2014	NUM
eurjchem-972	29	16	)	)	PUNCT
eurjchem-972	29	17	176‐180	176‐180	NOUN
eurjchem-972	29	18	177	177	NUM
eurjchem-972	29	19	table	table	NOUN
eurjchem-972	29	20	1	1	NUM
eurjchem-972	29	21	.	.	PUNCT
eurjchem-972	29	22	mössbauer	mössbauer	NOUN
eurjchem-972	29	23	parameters	parameter	NOUN
eurjchem-972	29	24	from	from	ADP
eurjchem-972	29	25	the	the	DET
eurjchem-972	29	26	best‐fit	best‐fit	NOUN
eurjchem-972	29	27	results	result	NOUN
eurjchem-972	29	28	of	of	ADP
eurjchem-972	29	29	the	the	DET
eurjchem-972	29	30	temperature	temperature	NOUN
eurjchem-972	29	31	dependent	dependent	ADJ
eurjchem-972	29	32	experimental	experimental	ADJ
eurjchem-972	29	33	spectra	spectra	NOUN
eurjchem-972	29	34	for	for	ADP
eurjchem-972	29	35	fe(ii	fe(ii	PROPN
eurjchem-972	29	36	)	)	PUNCT
eurjchem-972	29	37	complexes	complexe	VERB
eurjchem-972	29	38	a	a	DET
eurjchem-972	29	39	and	and	CCONJ
eurjchem-972	29	40	b.	b.	PROPN
eurjchem-972	29	41	parameter	parameter	NOUN
eurjchem-972	29	42	293	293	NUM
eurjchem-972	30	1	k	k	NOUN
eurjchem-972	30	2	77	77	NUM
eurjchem-972	30	3	k	k	NOUN
eurjchem-972	30	4	fe(iii	fe(iii	PROPN
eurjchem-972	30	5	)	)	PUNCT
eurjchem-972	30	6	component	component	NOUN
eurjchem-972	30	7	fe(ii	fe(ii	PROPN
eurjchem-972	30	8	)	)	PUNCT
eurjchem-972	30	9	component	component	NOUN
eurjchem-972	30	10	fe(iii	fe(iii	NOUN
eurjchem-972	30	11	)	)	PUNCT
eurjchem-972	30	12	component	component	NOUN
eurjchem-972	30	13	fe(ii	fe(ii	PROPN
eurjchem-972	30	14	)	)	PUNCT
eurjchem-972	30	15	component	component	NOUN
eurjchem-972	30	16	new	new	PROPN
eurjchem-972	30	17	fe(ii	fe(ii	PROPN
eurjchem-972	30	18	)	)	PUNCT
eurjchem-972	30	19	component	component	NOUN
eurjchem-972	30	20	for	for	ADP
eurjchem-972	30	21	complex	complex	ADJ
eurjchem-972	31	1	a	a	PRON
eurjchem-972	31	2	is	be	AUX
eurjchem-972	31	3	[	[	X
eurjchem-972	31	4	mm	mm	X
eurjchem-972	31	5	/	/	SYM
eurjchem-972	31	6	s	s	PROPN
eurjchem-972	31	7	]	]	PUNCT
eurjchem-972	31	8	0.42(5	0.42(5	NUM
eurjchem-972	31	9	)	)	PUNCT
eurjchem-972	31	10	1.16(1	1.16(1	NUM
eurjchem-972	31	11	)	)	PUNCT
eurjchem-972	31	12	0.55(5	0.55(5	NUM
eurjchem-972	31	13	)	)	PUNCT
eurjchem-972	31	14	1.27(1	1.27(1	NUM
eurjchem-972	31	15	)	)	PUNCT
eurjchem-972	31	16	0.57(5	0.57(5	NOUN
eurjchem-972	31	17	)	)	PUNCT
eurjchem-972	31	18	δeq	δeq	NOUN
eurjchem-972	32	1	[	[	X
eurjchem-972	32	2	mm	mm	X
eurjchem-972	32	3	/	/	SYM
eurjchem-972	32	4	s	s	PROPN
eurjchem-972	32	5	]	]	X
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eurjchem-972	32	7	)	)	PUNCT
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eurjchem-972	32	9	)	)	PUNCT
eurjchem-972	32	10	0.63(5	0.63(5	NOUN
eurjchem-972	32	11	)	)	PUNCT
eurjchem-972	32	12	2.79(1	2.79(1	NUM
eurjchem-972	32	13	)	)	PUNCT
eurjchem-972	32	14	1.55(5	1.55(5	NUM
eurjchem-972	32	15	)	)	PUNCT
eurjchem-972	32	16	γexp	γexp	NOUN
eurjchem-972	33	1	[	[	X
eurjchem-972	33	2	mm	mm	X
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eurjchem-972	33	4	s	s	PROPN
eurjchem-972	33	5	]	]	PUNCT
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eurjchem-972	33	7	)	)	PUNCT
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eurjchem-972	33	9	)	)	PUNCT
eurjchem-972	33	10	0.56(5	0.56(5	X
eurjchem-972	33	11	)	)	PUNCT
eurjchem-972	33	12	0.27(1	0.27(1	NUM
eurjchem-972	33	13	)	)	PUNCT
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eurjchem-972	33	15	)	)	PUNCT
eurjchem-972	34	1	i	i	PRON
eurjchem-972	34	2	rel	rel	VERB
eurjchem-972	35	1	[	[	X
eurjchem-972	35	2	%	%	X
eurjchem-972	35	3	]	]	X
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eurjchem-972	35	5	)	)	PUNCT
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eurjchem-972	35	7	)	)	PUNCT
eurjchem-972	35	8	30.6(5	30.6(5	PROPN
eurjchem-972	35	9	)	)	PUNCT
eurjchem-972	36	1	56.1(1	56.1(1	NUM
eurjchem-972	36	2	)	)	PUNCT
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eurjchem-972	36	4	)	)	PUNCT
eurjchem-972	36	5	for	for	ADP
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eurjchem-972	36	7	b	b	PROPN
eurjchem-972	36	8	is	be	AUX
eurjchem-972	36	9	[	[	X
eurjchem-972	36	10	mm	mm	X
eurjchem-972	36	11	/	/	SYM
eurjchem-972	36	12	s	s	PROPN
eurjchem-972	36	13	]	]	X
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eurjchem-972	36	15	)	)	PUNCT
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eurjchem-972	36	17	)	)	PUNCT
eurjchem-972	36	18	0.80(5	0.80(5	NUM
eurjchem-972	36	19	)	)	PUNCT
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eurjchem-972	36	21	)	)	PUNCT
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eurjchem-972	36	23	)	)	PUNCT
eurjchem-972	36	24	δeq	δeq	NOUN
eurjchem-972	37	1	[	[	X
eurjchem-972	37	2	mm	mm	X
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eurjchem-972	37	4	s	s	PROPN
eurjchem-972	37	5	]	]	X
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eurjchem-972	37	7	)	)	PUNCT
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eurjchem-972	37	9	)	)	PUNCT
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eurjchem-972	37	11	)	)	PUNCT
eurjchem-972	37	12	2.78(1	2.78(1	NUM
eurjchem-972	37	13	)	)	PUNCT
eurjchem-972	37	14	1.13(5	1.13(5	NUM
eurjchem-972	37	15	)	)	PUNCT
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eurjchem-972	38	1	[	[	X
eurjchem-972	38	2	mm	mm	PROPN
eurjchem-972	38	3	/	/	SYM
eurjchem-972	38	4	s	s	PROPN
eurjchem-972	38	5	]	]	X
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eurjchem-972	38	7	)	)	PUNCT
eurjchem-972	38	8	0.26(1	0.26(1	NUM
eurjchem-972	38	9	)	)	PUNCT
eurjchem-972	38	10	0.34(5	0.34(5	NUM
eurjchem-972	38	11	)	)	PUNCT
eurjchem-972	38	12	0.34(1	0.34(1	NUM
eurjchem-972	38	13	)	)	PUNCT
eurjchem-972	38	14	0.60(5	0.60(5	X
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eurjchem-972	38	16	i	i	PRON
eurjchem-972	38	17	rel	rel	VERB
eurjchem-972	39	1	[	[	X
eurjchem-972	39	2	%	%	X
eurjchem-972	39	3	]	]	X
eurjchem-972	39	4	14.0(1	14.0(1	NUM
eurjchem-972	39	5	)	)	PUNCT
eurjchem-972	39	6	86.0(1	86.0(1	NUM
eurjchem-972	39	7	)	)	PUNCT
eurjchem-972	39	8	6.2(5	6.2(5	NUM
eurjchem-972	39	9	)	)	PUNCT
eurjchem-972	39	10	70.0(1	70.0(1	NUM
eurjchem-972	39	11	)	)	PUNCT
eurjchem-972	39	12	23.8(5	23.8(5	PROPN
eurjchem-972	39	13	)	)	PUNCT
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eurjchem-972	39	15	using	use	VERB
eurjchem-972	39	16	some	some	PRON
eurjchem-972	39	17	of	of	ADP
eurjchem-972	39	18	the	the	DET
eurjchem-972	39	19	proposed	propose	VERB
eurjchem-972	39	20	correlations	correlation	NOUN
eurjchem-972	39	21	,	,	PUNCT
eurjchem-972	39	22	we	we	PRON
eurjchem-972	39	23	attempted	attempt	VERB
eurjchem-972	39	24	to	to	PART
eurjchem-972	39	25	find	find	VERB
eurjchem-972	39	26	explanation	explanation	NOUN
eurjchem-972	39	27	of	of	ADP
eurjchem-972	39	28	the	the	DET
eurjchem-972	39	29	experimentally	experimentally	ADV
eurjchem-972	39	30	observed	observe	VERB
eurjchem-972	39	31	mössbauer	mössbauer	PROPN
eurjchem-972	39	32	spectral	spectral	PROPN
eurjchem-972	39	33	features	feature	NOUN
eurjchem-972	39	34	and	and	CCONJ
eurjchem-972	39	35	propose	propose	VERB
eurjchem-972	39	36	the	the	DET
eurjchem-972	39	37	most	most	ADV
eurjchem-972	39	38	probable	probable	ADJ
eurjchem-972	39	39	structure	structure	NOUN
eurjchem-972	39	40	of	of	ADP
eurjchem-972	39	41	the	the	DET
eurjchem-972	39	42	fe(ii	fe(ii	PROPN
eurjchem-972	39	43	)	)	PUNCT
eurjchem-972	39	44	complex	complex	NOUN
eurjchem-972	39	45	of	of	ADP
eurjchem-972	39	46	2aid	2aid	NUM
eurjchem-972	39	47	.	.	NOUN
eurjchem-972	39	48	2	2	NUM
eurjchem-972	39	49	.	.	X
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eurjchem-972	39	51	all	all	DET
eurjchem-972	39	52	reagents	reagent	NOUN
eurjchem-972	39	53	and	and	CCONJ
eurjchem-972	39	54	solvents	solvent	NOUN
eurjchem-972	39	55	used	use	VERB
eurjchem-972	39	56	were	be	AUX
eurjchem-972	39	57	of	of	ADP
eurjchem-972	39	58	ar	ar	NOUN
eurjchem-972	39	59	grade	grade	NOUN
eurjchem-972	39	60	.	.	PUNCT
eurjchem-972	40	1	2.1	2.1	NUM
eurjchem-972	40	2	.	.	PUNCT
eurjchem-972	40	3	instrumentation	instrumentation	NOUN
eurjchem-972	40	4	the	the	DET
eurjchem-972	40	5	ir	ir	PROPN
eurjchem-972	40	6	spectra	spectra	PROPN
eurjchem-972	40	7	were	be	AUX
eurjchem-972	40	8	recorded	record	VERB
eurjchem-972	40	9	on	on	ADP
eurjchem-972	40	10	a	a	DET
eurjchem-972	40	11	perkin‐elmer	perkin‐elmer	NOUN
eurjchem-972	40	12	ftir‐1600	ftir‐1600	DET
eurjchem-972	40	13	spectrophotometer	spectrophotometer	NOUN
eurjchem-972	40	14	(	(	PUNCT
eurjchem-972	40	15	in	in	ADP
eurjchem-972	40	16	kbr	kbr	PROPN
eurjchem-972	40	17	tablets	tablet	NOUN
eurjchem-972	40	18	)	)	PUNCT
eurjchem-972	40	19	and	and	CCONJ
eurjchem-972	40	20	epr	epr	PROPN
eurjchem-972	40	21	spectra	spectra	PROPN
eurjchem-972	40	22	were	be	AUX
eurjchem-972	40	23	recorded	record	VERB
eurjchem-972	40	24	on	on	ADP
eurjchem-972	40	25	a	a	DET
eurjchem-972	40	26	x‐band	x‐band	NUM
eurjchem-972	40	27	epr	epr	PROPN
eurjchem-972	40	28	spectrometer	spectrometer	NOUN
eurjchem-972	40	29	bruker	bruker	NOUN
eurjchem-972	40	30	b‐er	b‐er	PROPN
eurjchem-972	40	31	420	420	NUM
eurjchem-972	40	32	.	.	PUNCT
eurjchem-972	41	1	the	the	DET
eurjchem-972	41	2	mössbauer	mössbauer	PROPN
eurjchem-972	41	3	spectra	spectra	PROPN
eurjchem-972	41	4	were	be	AUX
eurjchem-972	41	5	recorded	record	VERB
eurjchem-972	41	6	with	with	ADP
eurjchem-972	41	7	a	a	DET
eurjchem-972	41	8	conventional	conventional	ADJ
eurjchem-972	41	9	constant	constant	ADJ
eurjchem-972	41	10	acceleration	acceleration	NOUN
eurjchem-972	41	11	spectrometer	spectrometer	NOUN
eurjchem-972	41	12	combined	combine	VERB
eurjchem-972	41	13	with	with	ADP
eurjchem-972	41	14	a	a	DET
eurjchem-972	41	15	multichannel	multichannel	ADJ
eurjchem-972	41	16	analyzer	analyzer	NOUN
eurjchem-972	41	17	.	.	PUNCT
eurjchem-972	42	1	a	a	DET
eurjchem-972	42	2	source	source	NOUN
eurjchem-972	42	3	57co	57co	NOUN
eurjchem-972	42	4	/	/	SYM
eurjchem-972	42	5	rh	rh	PROPN
eurjchem-972	42	6	with	with	ADP
eurjchem-972	42	7	activity	activity	NOUN
eurjchem-972	42	8	of	of	ADP
eurjchem-972	42	9	about	about	ADV
eurjchem-972	42	10	25	25	NUM
eurjchem-972	42	11	mci	mci	NOUN
eurjchem-972	42	12	was	be	AUX
eurjchem-972	42	13	used	use	VERB
eurjchem-972	42	14	.	.	PUNCT
eurjchem-972	43	1	the	the	DET
eurjchem-972	43	2	source	source	NOUN
eurjchem-972	43	3	was	be	AUX
eurjchem-972	43	4	kept	keep	VERB
eurjchem-972	43	5	at	at	ADP
eurjchem-972	43	6	room	room	NOUN
eurjchem-972	43	7	temperature	temperature	NOUN
eurjchem-972	43	8	,	,	PUNCT
eurjchem-972	43	9	while	while	SCONJ
eurjchem-972	43	10	the	the	DET
eurjchem-972	43	11	absorber	absorber	NOUN
eurjchem-972	43	12	(	(	PUNCT
eurjchem-972	43	13	enclosed	enclose	VERB
eurjchem-972	43	14	in	in	ADP
eurjchem-972	43	15	a	a	DET
eurjchem-972	43	16	plexiglas	plexiglas	NOUN
eurjchem-972	43	17	pellet	pellet	NOUN
eurjchem-972	43	18	,	,	PUNCT
eurjchem-972	43	19	1.2	1.2	NUM
eurjchem-972	43	20	cm2	cm2	NOUN
eurjchem-972	43	21	area	area	NOUN
eurjchem-972	43	22	)	)	PUNCT
eurjchem-972	43	23	was	be	AUX
eurjchem-972	43	24	mounted	mount	VERB
eurjchem-972	43	25	in	in	ADP
eurjchem-972	43	26	a	a	DET
eurjchem-972	43	27	continuous	continuous	ADJ
eurjchem-972	43	28	flow	flow	NOUN
eurjchem-972	43	29	cryostat	cryostat	NOUN
eurjchem-972	43	30	(	(	PUNCT
eurjchem-972	43	31	cf	cf	NOUN
eurjchem-972	43	32	,	,	PUNCT
eurjchem-972	43	33	oxford	oxford	ADJ
eurjchem-972	43	34	instruments	instrument	NOUN
eurjchem-972	43	35	)	)	PUNCT
eurjchem-972	43	36	.	.	PUNCT
eurjchem-972	44	1	the	the	DET
eurjchem-972	44	2	cryostat	cryostat	NOUN
eurjchem-972	44	3	was	be	AUX
eurjchem-972	44	4	equipped	equip	VERB
eurjchem-972	44	5	with	with	ADP
eurjchem-972	44	6	mylar	mylar	ADJ
eurjchem-972	44	7	foil	foil	NOUN
eurjchem-972	44	8	windows	window	NOUN
eurjchem-972	44	9	.	.	PUNCT
eurjchem-972	45	1	the	the	DET
eurjchem-972	45	2	isomer	isomer	ADJ
eurjchem-972	45	3	shifts	shift	NOUN
eurjchem-972	45	4	are	be	AUX
eurjchem-972	45	5	referred	refer	VERB
eurjchem-972	45	6	to	to	ADP
eurjchem-972	45	7	the	the	DET
eurjchem-972	45	8	standard	standard	ADJ
eurjchem-972	45	9	α‐fe	α‐fe	NOUN
eurjchem-972	45	10	foil	foil	NOUN
eurjchem-972	45	11	of	of	ADP
eurjchem-972	45	12	25	25	NUM
eurjchem-972	45	13	μm	μm	NOUN
eurjchem-972	45	14	in	in	ADP
eurjchem-972	45	15	thickness	thickness	NOUN
eurjchem-972	45	16	at	at	ADP
eurjchem-972	45	17	room	room	NOUN
eurjchem-972	45	18	temperature	temperature	NOUN
eurjchem-972	45	19	.	.	PUNCT
eurjchem-972	46	1	the	the	DET
eurjchem-972	46	2	mössbauer	mössbauer	PROPN
eurjchem-972	46	3	spectra	spectra	PROPN
eurjchem-972	46	4	were	be	AUX
eurjchem-972	46	5	computer	computer	NOUN
eurjchem-972	46	6	processed	process	VERB
eurjchem-972	46	7	and	and	CCONJ
eurjchem-972	46	8	decomposed	decompose	VERB
eurjchem-972	46	9	to	to	ADP
eurjchem-972	46	10	lorentzian	lorentzian	ADJ
eurjchem-972	46	11	curves	curve	NOUN
eurjchem-972	46	12	by	by	ADP
eurjchem-972	46	13	least‐square	least‐square	PROPN
eurjchem-972	46	14	fitting	fitting	PROPN
eurjchem-972	46	15	program	program	NOUN
eurjchem-972	46	16	.	.	PUNCT
eurjchem-972	47	1	2.2	2.2	NUM
eurjchem-972	47	2	.	.	PUNCT
eurjchem-972	48	1	synthesis	synthesis	VERB
eurjchem-972	48	2	the	the	DET
eurjchem-972	48	3	ferrous	ferrous	ADJ
eurjchem-972	48	4	complexes	complex	NOUN
eurjchem-972	48	5	were	be	AUX
eurjchem-972	48	6	obtained	obtain	VERB
eurjchem-972	48	7	in	in	ADP
eurjchem-972	48	8	aerobic	aerobic	ADJ
eurjchem-972	48	9	conditions	condition	NOUN
eurjchem-972	48	10	from	from	ADP
eurjchem-972	48	11	two	two	NUM
eurjchem-972	48	12	different	different	ADJ
eurjchem-972	48	13	starting	starting	NOUN
eurjchem-972	48	14	salts	salt	NOUN
eurjchem-972	48	15	of	of	ADP
eurjchem-972	48	16	fe(ii	fe(ii	PROPN
eurjchem-972	48	17	)	)	PUNCT
eurjchem-972	48	18	,	,	PUNCT
eurjchem-972	48	19	namely	namely	ADV
eurjchem-972	48	20	fe(nh4)2(so4)2.6h2o	fe(nh4)2(so4)2.6h2o	NOUN
eurjchem-972	48	21	and	and	CCONJ
eurjchem-972	48	22	fe(ch3coo)2.6h2o	fe(ch3coo)2.6h2o	NOUN
eurjchem-972	48	23	,	,	PUNCT
eurjchem-972	48	24	following	follow	VERB
eurjchem-972	48	25	a	a	DET
eurjchem-972	48	26	similar	similar	ADJ
eurjchem-972	48	27	procedure	procedure	NOUN
eurjchem-972	48	28	.	.	PUNCT
eurjchem-972	49	1	the	the	DET
eurjchem-972	49	2	metal	metal	NOUN
eurjchem-972	49	3	salt	salt	NOUN
eurjchem-972	49	4	was	be	AUX
eurjchem-972	49	5	dissolved	dissolve	VERB
eurjchem-972	49	6	in	in	ADP
eurjchem-972	49	7	aq	aq	NOUN
eurjchem-972	49	8	.	.	PROPN
eurjchem-972	49	9	1	1	NUM
eurjchem-972	49	10	m	m	NOUN
eurjchem-972	49	11	hcl	hcl	NOUN
eurjchem-972	49	12	solution	solution	NOUN
eurjchem-972	49	13	and	and	CCONJ
eurjchem-972	49	14	mixed	mix	VERB
eurjchem-972	49	15	with	with	ADP
eurjchem-972	49	16	ethanolic	ethanolic	ADJ
eurjchem-972	49	17	solution	solution	NOUN
eurjchem-972	49	18	of	of	ADP
eurjchem-972	49	19	2aid	2aid	NUM
eurjchem-972	49	20	with	with	ADP
eurjchem-972	49	21	metal‐	metal‐	ADJ
eurjchem-972	49	22	to‐ligand	to‐ligand	NOUN
eurjchem-972	49	23	ratio	ratio	NOUN
eurjchem-972	49	24	equal	equal	ADJ
eurjchem-972	49	25	to	to	ADP
eurjchem-972	49	26	1:2	1:2	NUM
eurjchem-972	49	27	.	.	PUNCT
eurjchem-972	50	1	a	a	DET
eurjchem-972	50	2	dark	dark	ADJ
eurjchem-972	50	3	red	red	ADJ
eurjchem-972	50	4	precipitate	precipitate	NOUN
eurjchem-972	50	5	was	be	AUX
eurjchem-972	50	6	obtained	obtain	VERB
eurjchem-972	50	7	almost	almost	ADV
eurjchem-972	50	8	immediately	immediately	ADV
eurjchem-972	50	9	,	,	PUNCT
eurjchem-972	50	10	which	which	PRON
eurjchem-972	50	11	was	be	AUX
eurjchem-972	50	12	filtered	filter	VERB
eurjchem-972	50	13	off	off	ADP
eurjchem-972	50	14	and	and	CCONJ
eurjchem-972	50	15	washed	wash	VERB
eurjchem-972	50	16	with	with	ADP
eurjchem-972	50	17	small	small	ADJ
eurjchem-972	50	18	portions	portion	NOUN
eurjchem-972	50	19	of	of	ADP
eurjchem-972	50	20	ethanol	ethanol	NOUN
eurjchem-972	50	21	.	.	PUNCT
eurjchem-972	51	1	ft‐ir	ft‐ir	NOUN
eurjchem-972	51	2	(	(	PUNCT
eurjchem-972	51	3	kbr	kbr	PROPN
eurjchem-972	51	4	,	,	PUNCT
eurjchem-972	51	5	cm‐1	cm‐1	PROPN
eurjchem-972	51	6	):	):	PUNCT
eurjchem-972	51	7	3420‐3200	3420‐3200	NUM
eurjchem-972	51	8	(oh	(oh	NOUN
eurjchem-972	51	9	)	)	PUNCT
eurjchem-972	51	10	(	(	PUNCT
eurjchem-972	51	11	br	br	NOUN
eurjchem-972	51	12	,	,	PUNCT
eurjchem-972	51	13	water	water	NOUN
eurjchem-972	51	14	)	)	PUNCT
eurjchem-972	51	15	,	,	PUNCT
eurjchem-972	51	16	1705	1705	NUM
eurjchem-972	51	17	(c	(c	PROPN
eurjchem-972	51	18	=	=	SYM
eurjchem-972	51	19	o	o	NOUN
eurjchem-972	51	20	)	)	PUNCT
eurjchem-972	51	21	(	(	PUNCT
eurjchem-972	51	22	non‐coordinated	non‐coordinated	PROPN
eurjchem-972	51	23	)	)	PUNCT
eurjchem-972	51	24	,	,	PUNCT
eurjchem-972	51	25	1679	1679	NUM
eurjchem-972	51	26	(c	(c	NOUN
eurjchem-972	51	27	=	=	SYM
eurjchem-972	51	28	o	o	NOUN
eurjchem-972	51	29	)	)	PUNCT
eurjchem-972	51	30	(	(	PUNCT
eurjchem-972	51	31	coordinated	coordinate	VERB
eurjchem-972	51	32	)	)	PUNCT
eurjchem-972	51	33	.	.	PUNCT
eurjchem-972	52	1	anal	anal	PROPN
eurjchem-972	52	2	.	.	PUNCT
eurjchem-972	52	3	calcd	calcd	NOUN
eurjchem-972	52	4	.	.	PUNCT
eurjchem-972	53	1	for	for	SCONJ
eurjchem-972	53	2	fec22h14o6	fec22h14o6	PROPN
eurjchem-972	53	3	:	:	PUNCT
eurjchem-972	53	4	c	c	X
eurjchem-972	53	5	,	,	PUNCT
eurjchem-972	53	6	61.42	61.42	NUM
eurjchem-972	53	7	;	;	PUNCT
eurjchem-972	53	8	h	h	NOUN
eurjchem-972	53	9	,	,	PUNCT
eurjchem-972	53	10	3.28	3.28	NUM
eurjchem-972	53	11	.	.	PUNCT
eurjchem-972	53	12	found	find	VERB
eurjchem-972	53	13	:	:	PUNCT
eurjchem-972	54	1	c	c	X
eurjchem-972	54	2	,	,	PUNCT
eurjchem-972	54	3	61.28	61.28	NUM
eurjchem-972	54	4	;	;	PUNCT
eurjchem-972	54	5	h	h	NOUN
eurjchem-972	54	6	,	,	PUNCT
eurjchem-972	54	7	3.07	3.07	NUM
eurjchem-972	54	8	%	%	NOUN
eurjchem-972	54	9	.	.	PUNCT
eurjchem-972	55	1	this	this	DET
eurjchem-972	55	2	synthesis	synthesis	NOUN
eurjchem-972	55	3	was	be	AUX
eurjchem-972	55	4	repeated	repeat	VERB
eurjchem-972	55	5	under	under	ADP
eurjchem-972	55	6	ar	ar	PROPN
eurjchem-972	55	7	but	but	CCONJ
eurjchem-972	55	8	the	the	DET
eurjchem-972	55	9	reaction	reaction	NOUN
eurjchem-972	55	10	product	product	NOUN
eurjchem-972	55	11	still	still	ADV
eurjchem-972	55	12	shows	show	VERB
eurjchem-972	55	13	presence	presence	NOUN
eurjchem-972	55	14	of	of	ADP
eurjchem-972	55	15	fe(iii	fe(iii	NOUN
eurjchem-972	55	16	)	)	PUNCT
eurjchem-972	55	17	impurities	impurity	NOUN
eurjchem-972	55	18	as	as	SCONJ
eurjchem-972	55	19	was	be	AUX
eurjchem-972	55	20	seen	see	VERB
eurjchem-972	55	21	from	from	ADP
eurjchem-972	55	22	the	the	DET
eurjchem-972	55	23	room‐temperature	room‐temperature	NOUN
eurjchem-972	55	24	epr	epr	PROPN
eurjchem-972	55	25	spectra	spectra	PROPN
eurjchem-972	55	26	.	.	PROPN
eurjchem-972	56	1	2.3	2.3	NUM
eurjchem-972	56	2	.	.	PUNCT
eurjchem-972	56	3	quantum	quantum	ADJ
eurjchem-972	56	4	chemical	chemical	NOUN
eurjchem-972	56	5	calculations	calculation	NOUN
eurjchem-972	56	6	all	all	DET
eurjchem-972	56	7	calculations	calculation	NOUN
eurjchem-972	56	8	were	be	AUX
eurjchem-972	56	9	performed	perform	VERB
eurjchem-972	56	10	with	with	ADP
eurjchem-972	56	11	the	the	DET
eurjchem-972	56	12	adf2008.01	adf2008.01	ADJ
eurjchem-972	56	13	package	package	NOUN
eurjchem-972	56	14	of	of	ADP
eurjchem-972	56	15	programs	program	NOUN
eurjchem-972	56	16	[	[	X
eurjchem-972	56	17	17	17	NUM
eurjchem-972	56	18	]	]	PUNCT
eurjchem-972	56	19	,	,	PUNCT
eurjchem-972	56	20	employing	employ	VERB
eurjchem-972	56	21	the	the	DET
eurjchem-972	56	22	gga	gga	NOUN
eurjchem-972	56	23	functionals	functional	NOUN
eurjchem-972	56	24	opbe	opbe	ADJ
eurjchem-972	56	25	and	and	CCONJ
eurjchem-972	56	26	pw91	pw91	PROPN
eurjchem-972	56	27	.	.	PUNCT
eurjchem-972	57	1	the	the	DET
eurjchem-972	57	2	geometry	geometry	NOUN
eurjchem-972	57	3	optimizations	optimization	NOUN
eurjchem-972	57	4	were	be	AUX
eurjchem-972	57	5	performed	perform	VERB
eurjchem-972	57	6	with	with	ADP
eurjchem-972	57	7	triple‐ζ	triple‐ζ	NOUN
eurjchem-972	57	8	plus	plus	CCONJ
eurjchem-972	57	9	polarization	polarization	NOUN
eurjchem-972	57	10	functions	function	NOUN
eurjchem-972	57	11	(	(	PUNCT
eurjchem-972	57	12	tzp	tzp	NOUN
eurjchem-972	57	13	)	)	PUNCT
eurjchem-972	57	14	basis	basis	NOUN
eurjchem-972	57	15	set	set	NOUN
eurjchem-972	57	16	for	for	ADP
eurjchem-972	57	17	the	the	DET
eurjchem-972	57	18	fe	fe	PROPN
eurjchem-972	57	19	atom	atom	NOUN
eurjchem-972	57	20	,	,	PUNCT
eurjchem-972	57	21	and	and	CCONJ
eurjchem-972	57	22	double‐ζ	double‐ζ	NOUN
eurjchem-972	57	23	plus	plus	CCONJ
eurjchem-972	57	24	polarization	polarization	NOUN
eurjchem-972	57	25	functions	function	NOUN
eurjchem-972	57	26	(	(	PUNCT
eurjchem-972	57	27	dzp	dzp	ADJ
eurjchem-972	57	28	)	)	PUNCT
eurjchem-972	57	29	basis	basis	NOUN
eurjchem-972	57	30	set	set	NOUN
eurjchem-972	57	31	for	for	ADP
eurjchem-972	57	32	all	all	DET
eurjchem-972	57	33	other	other	ADJ
eurjchem-972	57	34	elements	element	NOUN
eurjchem-972	57	35	.	.	PUNCT
eurjchem-972	58	1	octahedral	octahedral	ADJ
eurjchem-972	58	2	and	and	CCONJ
eurjchem-972	58	3	tetrahedral	tetrahedral	ADJ
eurjchem-972	58	4	structures	structure	NOUN
eurjchem-972	58	5	for	for	ADP
eurjchem-972	58	6	the	the	DET
eurjchem-972	58	7	fe(ii	fe(ii	PROPN
eurjchem-972	58	8	)	)	PUNCT
eurjchem-972	58	9	complex	complex	NOUN
eurjchem-972	58	10	of	of	ADP
eurjchem-972	58	11	2aid	2aid	PROPN
eurjchem-972	58	12	were	be	AUX
eurjchem-972	58	13	modeled	model	VERB
eurjchem-972	58	14	and	and	CCONJ
eurjchem-972	58	15	optimized	optimize	VERB
eurjchem-972	58	16	for	for	ADP
eurjchem-972	58	17	different	different	ADJ
eurjchem-972	58	18	spin	spin	NOUN
eurjchem-972	58	19	states	state	NOUN
eurjchem-972	58	20	,	,	PUNCT
eurjchem-972	58	21	s	s	PART
eurjchem-972	58	22	=	=	NOUN
eurjchem-972	58	23	0	0	NUM
eurjchem-972	58	24	,	,	PUNCT
eurjchem-972	58	25	s	s	PART
eurjchem-972	58	26	=	=	SYM
eurjchem-972	58	27	1	1	NUM
eurjchem-972	58	28	and	and	CCONJ
eurjchem-972	58	29	s	s	X
eurjchem-972	58	30	=	=	SYM
eurjchem-972	58	31	2	2	NUM
eurjchem-972	58	32	,	,	PUNCT
eurjchem-972	58	33	and	and	CCONJ
eurjchem-972	58	34	accounting	account	VERB
eurjchem-972	58	35	for	for	ADP
eurjchem-972	58	36	the	the	DET
eurjchem-972	58	37	solvent	solvent	ADJ
eurjchem-972	58	38	effect	effect	NOUN
eurjchem-972	58	39	by	by	ADP
eurjchem-972	58	40	the	the	DET
eurjchem-972	58	41	conductor‐like	conductor‐like	NOUN
eurjchem-972	58	42	screening	screening	NOUN
eurjchem-972	58	43	model	model	NOUN
eurjchem-972	58	44	(	(	PUNCT
eurjchem-972	58	45	cosmo	cosmo	PROPN
eurjchem-972	58	46	)	)	PUNCT
eurjchem-972	59	1	[	[	X
eurjchem-972	59	2	18	18	NUM
eurjchem-972	59	3	]	]	PUNCT
eurjchem-972	59	4	with	with	ADP
eurjchem-972	59	5	ε	ε	PROPN
eurjchem-972	59	6	=	=	SYM
eurjchem-972	59	7	32.7	32.7	NUM
eurjchem-972	59	8	for	for	ADP
eurjchem-972	59	9	methanol	methanol	NOUN
eurjchem-972	59	10	.	.	PUNCT
eurjchem-972	60	1	for	for	ADP
eurjchem-972	60	2	the	the	DET
eurjchem-972	60	3	optimized	optimize	VERB
eurjchem-972	60	4	structures	structure	NOUN
eurjchem-972	60	5	all‐electron	all‐electron	ADV
eurjchem-972	60	6	single‐point	single‐point	VERB
eurjchem-972	60	7	calculations	calculation	NOUN
eurjchem-972	60	8	,	,	PUNCT
eurjchem-972	60	9	with	with	ADP
eurjchem-972	60	10	tzp	tzp	NOUN
eurjchem-972	60	11	basis	basis	NOUN
eurjchem-972	60	12	set	set	NOUN
eurjchem-972	60	13	for	for	ADP
eurjchem-972	60	14	all	all	DET
eurjchem-972	60	15	elements	element	NOUN
eurjchem-972	60	16	,	,	PUNCT
eurjchem-972	60	17	were	be	AUX
eurjchem-972	60	18	performed	perform	VERB
eurjchem-972	60	19	in	in	ADP
eurjchem-972	60	20	order	order	NOUN
eurjchem-972	60	21	to	to	PART
eurjchem-972	60	22	obtain	obtain	VERB
eurjchem-972	60	23	the	the	DET
eurjchem-972	60	24	electronic	electronic	ADJ
eurjchem-972	60	25	density	density	NOUN
eurjchem-972	60	26	at	at	ADP
eurjchem-972	60	27	the	the	DET
eurjchem-972	60	28	iron	iron	NOUN
eurjchem-972	60	29	nucleus	nucleus	NOUN
eurjchem-972	60	30	,	,	PUNCT
eurjchem-972	60	31	which	which	PRON
eurjchem-972	60	32	was	be	AUX
eurjchem-972	60	33	done	do	VERB
eurjchem-972	60	34	with	with	ADP
eurjchem-972	60	35	the	the	DET
eurjchem-972	60	36	hypers2003	hypers2003	PROPN
eurjchem-972	60	37	program	program	NOUN
eurjchem-972	60	38	[	[	X
eurjchem-972	60	39	19	19	NUM
eurjchem-972	60	40	]	]	PUNCT
eurjchem-972	60	41	,	,	PUNCT
eurjchem-972	60	42	kindly	kindly	ADV
eurjchem-972	60	43	provided	provide	VERB
eurjchem-972	60	44	by	by	ADP
eurjchem-972	60	45	han	han	PROPN
eurjchem-972	60	46	and	and	CCONJ
eurjchem-972	60	47	noodleman	noodleman	PROPN
eurjchem-972	60	48	.	.	PUNCT
eurjchem-972	61	1	for	for	ADP
eurjchem-972	61	2	calculations	calculation	NOUN
eurjchem-972	61	3	of	of	ADP
eurjchem-972	61	4	the	the	DET
eurjchem-972	61	5	mössbauer	mössbauer	NOUN
eurjchem-972	61	6	isomer	isomer	PROPN
eurjchem-972	61	7	shifts	shift	NOUN
eurjchem-972	61	8	the	the	DET
eurjchem-972	61	9	following	follow	VERB
eurjchem-972	61	10	correlation	correlation	NOUN
eurjchem-972	61	11	formulas	formula	NOUN
eurjchem-972	61	12	,	,	PUNCT
eurjchem-972	61	13	as	as	SCONJ
eurjchem-972	61	14	suggested	suggest	VERB
eurjchem-972	61	15	by	by	ADP
eurjchem-972	61	16	han	han	PROPN
eurjchem-972	61	17	and	and	CCONJ
eurjchem-972	61	18	noodleman	noodleman	PROPN
eurjchem-972	62	1	[	[	X
eurjchem-972	62	2	16	16	NUM
eurjchem-972	62	3	]	]	PUNCT
eurjchem-972	62	4	,	,	PUNCT
eurjchem-972	62	5	were	be	AUX
eurjchem-972	62	6	used	use	VERB
eurjchem-972	62	7	:	:	PUNCT
eurjchem-972	62	8	δcal(fe2	δcal(fe2	NOUN
eurjchem-972	62	9	+	+	PROPN
eurjchem-972	62	10	,	,	PUNCT
eurjchem-972	62	11	2,5	2,5	NUM
eurjchem-972	62	12	+	+	NOUN
eurjchem-972	62	13	)	)	PUNCT
eurjchem-972	62	14	=	=	PUNCT
eurjchem-972	62	15	‐	‐	NOUN
eurjchem-972	62	16	0.405[ρ(0	0.405[ρ(0	NUM
eurjchem-972	62	17	)	)	PUNCT
eurjchem-972	62	18	–	–	PUNCT
eurjchem-972	62	19	11884.0	11884.0	NUM
eurjchem-972	62	20	]	]	PUNCT
eurjchem-972	63	1	+	+	CCONJ
eurjchem-972	63	2	0.735	0.735	NUM
eurjchem-972	63	3	[	[	X
eurjchem-972	63	4	mm	mm	X
eurjchem-972	63	5	/	/	SYM
eurjchem-972	63	6	s	s	PROPN
eurjchem-972	63	7	]	]	X
eurjchem-972	63	8	for	for	ADP
eurjchem-972	63	9	pw91	pw91	PROPN
eurjchem-972	63	10	(	(	PUNCT
eurjchem-972	63	11	2	2	NUM
eurjchem-972	63	12	)	)	PUNCT
eurjchem-972	63	13	δcal(fe2,5	δcal(fe2,5	PROPN
eurjchem-972	63	14	+	+	PROPN
eurjchem-972	63	15	,	,	PUNCT
eurjchem-972	63	16	3	3	NUM
eurjchem-972	63	17	+	+	NOUN
eurjchem-972	63	18	)	)	PUNCT
eurjchem-972	64	1	=	=	PUNCT
eurjchem-972	64	2	‐	‐	NOUN
eurjchem-972	64	3	0.393[ρ(0	0.393[ρ(0	NUM
eurjchem-972	64	4	)	)	PUNCT
eurjchem-972	64	5	–	–	PUNCT
eurjchem-972	64	6	11884.0	11884.0	NUM
eurjchem-972	64	7	]	]	PUNCT
eurjchem-972	64	8	+	+	NUM
eurjchem-972	64	9	0.435	0.435	NUM
eurjchem-972	64	10	[	[	X
eurjchem-972	64	11	mm	mm	X
eurjchem-972	64	12	/	/	SYM
eurjchem-972	64	13	s	s	PROPN
eurjchem-972	64	14	]	]	X
eurjchem-972	64	15	for	for	ADP
eurjchem-972	64	16	pw91	pw91	PROPN
eurjchem-972	64	17	(	(	PUNCT
eurjchem-972	64	18	3	3	X
eurjchem-972	64	19	)	)	PUNCT
eurjchem-972	64	20	δcal(fe2	δcal(fe2	PROPN
eurjchem-972	64	21	+	+	NOUN
eurjchem-972	64	22	,	,	PUNCT
eurjchem-972	64	23	2,5	2,5	NUM
eurjchem-972	64	24	+	+	NOUN
eurjchem-972	64	25	)	)	PUNCT
eurjchem-972	64	26	=	=	PUNCT
eurjchem-972	64	27	‐	‐	NOUN
eurjchem-972	64	28	0.318[ρ(0	0.318[ρ(0	NOUN
eurjchem-972	64	29	)	)	PUNCT
eurjchem-972	64	30	–	–	PUNCT
eurjchem-972	64	31	11877.0	11877.0	NUM
eurjchem-972	64	32	]	]	PUNCT
eurjchem-972	65	1	+	+	NUM
eurjchem-972	65	2	0.633	0.633	NUM
eurjchem-972	65	3	[	[	X
eurjchem-972	65	4	mm	mm	X
eurjchem-972	65	5	/	/	SYM
eurjchem-972	65	6	s	s	PROPN
eurjchem-972	65	7	]	]	PUNCT
eurjchem-972	65	8	for	for	ADP
eurjchem-972	65	9	opbe	opbe	PROPN
eurjchem-972	65	10	(	(	PUNCT
eurjchem-972	65	11	4	4	NUM
eurjchem-972	65	12	)	)	PUNCT
eurjchem-972	65	13	the	the	DET
eurjchem-972	65	14	quadrupole	quadrupole	NOUN
eurjchem-972	65	15	splitting	splitting	NOUN
eurjchem-972	65	16	is	be	AUX
eurjchem-972	65	17	the	the	DET
eurjchem-972	65	18	other	other	ADJ
eurjchem-972	65	19	important	important	ADJ
eurjchem-972	65	20	mössbauer	mössbauer	PROPN
eurjchem-972	65	21	parameter	parameter	NOUN
eurjchem-972	65	22	because	because	SCONJ
eurjchem-972	65	23	it	it	PRON
eurjchem-972	65	24	is	be	AUX
eurjchem-972	65	25	very	very	ADV
eurjchem-972	65	26	sensitive	sensitive	ADJ
eurjchem-972	65	27	on	on	ADP
eurjchem-972	65	28	,	,	PUNCT
eurjchem-972	65	29	and	and	CCONJ
eurjchem-972	65	30	thus	thus	ADV
eurjchem-972	65	31	,	,	PUNCT
eurjchem-972	65	32	informative	informative	ADJ
eurjchem-972	65	33	about	about	ADP
eurjchem-972	65	34	the	the	DET
eurjchem-972	65	35	electronic	electronic	ADJ
eurjchem-972	65	36	structure	structure	NOUN
eurjchem-972	65	37	of	of	ADP
eurjchem-972	65	38	the	the	DET
eurjchem-972	65	39	fe	fe	NOUN
eurjchem-972	65	40	ions	ion	NOUN
eurjchem-972	65	41	and	and	CCONJ
eurjchem-972	65	42	their	their	PRON
eurjchem-972	65	43	ligand	ligand	ADJ
eurjchem-972	65	44	environment	environment	NOUN
eurjchem-972	65	45	.	.	PUNCT
eurjchem-972	66	1	the	the	DET
eurjchem-972	66	2	qs	qs	NOUN
eurjchem-972	66	3	arises	arise	VERB
eurjchem-972	66	4	from	from	ADP
eurjchem-972	66	5	the	the	DET
eurjchem-972	66	6	interaction	interaction	NOUN
eurjchem-972	66	7	of	of	ADP
eurjchem-972	66	8	the	the	DET
eurjchem-972	66	9	quadrupole	quadrupole	NOUN
eurjchem-972	66	10	moment	moment	NOUN
eurjchem-972	66	11	of	of	ADP
eurjchem-972	66	12	the	the	DET
eurjchem-972	66	13	first	first	ADJ
eurjchem-972	66	14	nuclear	nuclear	ADJ
eurjchem-972	66	15	excited	excited	ADJ
eurjchem-972	66	16	state	state	NOUN
eurjchem-972	66	17	of	of	ADP
eurjchem-972	66	18	57fe	57fe	NOUN
eurjchem-972	66	19	(	(	PUNCT
eurjchem-972	66	20	i	i	NOUN
eurjchem-972	66	21	=	=	SYM
eurjchem-972	66	22	3/2	3/2	NUM
eurjchem-972	66	23	)	)	PUNCT
eurjchem-972	66	24	with	with	ADP
eurjchem-972	66	25	the	the	DET
eurjchem-972	66	26	electric	electric	ADJ
eurjchem-972	66	27	field	field	NOUN
eurjchem-972	66	28	gradient	gradient	NOUN
eurjchem-972	66	29	(	(	PUNCT
eurjchem-972	66	30	efg	efg	NOUN
eurjchem-972	66	31	)	)	PUNCT
eurjchem-972	66	32	surrounding	surround	VERB
eurjchem-972	66	33	the	the	DET
eurjchem-972	66	34	fe	fe	NOUN
eurjchem-972	66	35	nucleus	nucleus	NOUN
eurjchem-972	66	36	.	.	PUNCT
eurjchem-972	67	1	as	as	ADP
eurjchem-972	67	2	a	a	DET
eurjchem-972	67	3	result	result	NOUN
eurjchem-972	67	4	the	the	DET
eurjchem-972	67	5	57fe	57fe	NOUN
eurjchem-972	67	6	(	(	PUNCT
eurjchem-972	67	7	i	i	NOUN
eurjchem-972	67	8	=	=	SYM
eurjchem-972	67	9	3/2	3/2	NUM
eurjchem-972	67	10	)	)	PUNCT
eurjchem-972	67	11	nucleus	nucleus	NOUN
eurjchem-972	67	12	levels	level	NOUN
eurjchem-972	67	13	split	split	VERB
eurjchem-972	67	14	into	into	ADP
eurjchem-972	67	15	two	two	NUM
eurjchem-972	67	16	doubly	doubly	ADV
eurjchem-972	67	17	degenerate	degenerate	ADJ
eurjchem-972	67	18	states	state	NOUN
eurjchem-972	67	19	(	(	PUNCT
eurjchem-972	67	20	mi	mi	PROPN
eurjchem-972	67	21	±1/2	±1/2	PROPN
eurjchem-972	67	22	and	and	CCONJ
eurjchem-972	67	23	mi	mi	PROPN
eurjchem-972	67	24	±3/2	±3/2	PROPN
eurjchem-972	67	25	)	)	PUNCT
eurjchem-972	67	26	with	with	ADP
eurjchem-972	67	27	energy	energy	NOUN
eurjchem-972	67	28	difference	difference	NOUN
eurjchem-972	67	29	equal	equal	ADJ
eurjchem-972	67	30	to	to	ADP
eurjchem-972	67	31	δeq	δeq	NOUN
eurjchem-972	67	32	=	=	SYM
eurjchem-972	67	33	½eqvzz(1+η2/3)1/2	½eqvzz(1+η2/3)1/2	PROPN
eurjchem-972	67	34	(	(	PUNCT
eurjchem-972	67	35	5	5	NUM
eurjchem-972	67	36	)	)	PUNCT
eurjchem-972	67	37	where	where	SCONJ
eurjchem-972	67	38	e	e	NOUN
eurjchem-972	67	39	is	be	AUX
eurjchem-972	67	40	the	the	DET
eurjchem-972	67	41	positive	positive	ADJ
eurjchem-972	67	42	electric	electric	ADJ
eurjchem-972	67	43	charge	charge	NOUN
eurjchem-972	67	44	,	,	PUNCT
eurjchem-972	67	45	q	q	X
eurjchem-972	67	46	is	be	AUX
eurjchem-972	67	47	the	the	DET
eurjchem-972	67	48	nuclear	nuclear	ADJ
eurjchem-972	67	49	quadrupole	quadrupole	NOUN
eurjchem-972	67	50	moment	moment	NOUN
eurjchem-972	67	51	(	(	PUNCT
eurjchem-972	67	52	in	in	ADP
eurjchem-972	67	53	barns	barn	NOUN
eurjchem-972	67	54	,	,	PUNCT
eurjchem-972	67	55	taken	take	VERB
eurjchem-972	67	56	as	as	ADP
eurjchem-972	67	57	0.16	0.16	NUM
eurjchem-972	67	58	barns	barn	NOUN
eurjchem-972	67	59	[	[	X
eurjchem-972	67	60	10	10	NUM
eurjchem-972	67	61	]	]	NUM
eurjchem-972	67	62	)	)	PUNCT
eurjchem-972	67	63	,	,	PUNCT
eurjchem-972	67	64	vzz	vzz	NOUN
eurjchem-972	67	65	is	be	AUX
eurjchem-972	67	66	the	the	DET
eurjchem-972	67	67	electric	electric	ADJ
eurjchem-972	67	68	field	field	NOUN
eurjchem-972	67	69	gradient	gradient	NOUN
eurjchem-972	67	70	,	,	PUNCT
eurjchem-972	67	71	and	and	CCONJ
eurjchem-972	67	72	η	η	PROPN
eurjchem-972	67	73	is	be	AUX
eurjchem-972	67	74	an	an	DET
eurjchem-972	67	75	asymmetry	asymmetry	NOUN
eurjchem-972	67	76	parameter	parameter	NOUN
eurjchem-972	67	77	defined	define	VERB
eurjchem-972	67	78	as	as	ADP
eurjchem-972	67	79	(	(	PUNCT
eurjchem-972	67	80	vxx	vxx	PROPN
eurjchem-972	67	81	‐	‐	ADJ
eurjchem-972	67	82	vyy)/vzz	vyy)/vzz	NOUN
eurjchem-972	67	83	with	with	ADP
eurjchem-972	67	84	|vzz|	|vzz|	ADJ
eurjchem-972	67	85	≥	≥	NUM
eurjchem-972	67	86	|vyy|	|vyy|	NOUN
eurjchem-972	67	87	≥	≥	NOUN
eurjchem-972	67	88	|vxx	|vxx	NOUN
eurjchem-972	67	89	.	.	PUNCT
eurjchem-972	68	1	the	the	DET
eurjchem-972	68	2	calculated	calculated	ADJ
eurjchem-972	68	3	δeq	δeq	NOUN
eurjchem-972	68	4	is	be	AUX
eurjchem-972	68	5	calibrated	calibrate	VERB
eurjchem-972	68	6	using	use	VERB
eurjchem-972	68	7	the	the	DET
eurjchem-972	68	8	following	follow	VERB
eurjchem-972	68	9	correlation	correlation	NOUN
eurjchem-972	68	10	formulae	formulae	ADJ
eurjchem-972	68	11	[	[	X
eurjchem-972	68	12	16	16	NUM
eurjchem-972	68	13	]	]	PUNCT
eurjchem-972	68	14	δeq(exp	δeq(exp	NOUN
eurjchem-972	68	15	)	)	PUNCT
eurjchem-972	68	16	=	=	SYM
eurjchem-972	69	1	1,055×δeq(calc	1,055×δeq(calc	NUM
eurjchem-972	69	2	)	)	PUNCT
eurjchem-972	69	3	+0,227	+0,227	PROPN
eurjchem-972	70	1	[	[	X
eurjchem-972	70	2	mm	mm	X
eurjchem-972	70	3	/	/	SYM
eurjchem-972	70	4	s	s	PROPN
eurjchem-972	70	5	]	]	X
eurjchem-972	70	6	for	for	ADP
eurjchem-972	70	7	pw91	pw91	PROPN
eurjchem-972	70	8	(	(	PUNCT
eurjchem-972	70	9	6	6	NUM
eurjchem-972	70	10	)	)	PUNCT
eurjchem-972	70	11	3	3	NUM
eurjchem-972	70	12	.	.	NOUN
eurjchem-972	70	13	results	result	NOUN
eurjchem-972	70	14	and	and	CCONJ
eurjchem-972	70	15	discussion	discussion	NOUN
eurjchem-972	70	16	3.1	3.1	NUM
eurjchem-972	70	17	.	.	PUNCT
eurjchem-972	71	1	experimental	experimental	ADJ
eurjchem-972	71	2	data	datum	NOUN
eurjchem-972	71	3	the	the	DET
eurjchem-972	71	4	fe(ii	fe(ii	PROPN
eurjchem-972	71	5	)	)	PUNCT
eurjchem-972	71	6	complexes	complex	NOUN
eurjchem-972	71	7	of	of	ADP
eurjchem-972	71	8	2aid	2aid	NUM
eurjchem-972	71	9	were	be	AUX
eurjchem-972	71	10	isolated	isolate	VERB
eurjchem-972	71	11	in	in	ADP
eurjchem-972	71	12	solid	solid	ADJ
eurjchem-972	71	13	state	state	NOUN
eurjchem-972	71	14	as	as	ADP
eurjchem-972	71	15	deep	deep	ADJ
eurjchem-972	71	16	red	red	ADJ
eurjchem-972	71	17	powder	powder	NOUN
eurjchem-972	71	18	.	.	PUNCT
eurjchem-972	72	1	the	the	DET
eurjchem-972	72	2	ir	ir	PROPN
eurjchem-972	72	3	spectra	spectra	PROPN
eurjchem-972	72	4	show	show	VERB
eurjchem-972	72	5	strong	strong	ADJ
eurjchem-972	72	6	shift	shift	NOUN
eurjchem-972	72	7	of	of	ADP
eurjchem-972	72	8	the	the	DET
eurjchem-972	72	9	stretching	stretch	VERB
eurjchem-972	72	10	band	band	NOUN
eurjchem-972	72	11	for	for	ADP
eurjchem-972	72	12	one	one	NUM
eurjchem-972	72	13	of	of	ADP
eurjchem-972	72	14	the	the	DET
eurjchem-972	72	15	carbonyl	carbonyl	NOUN
eurjchem-972	72	16	groups	group	NOUN
eurjchem-972	72	17	to	to	PART
eurjchem-972	72	18	lower	lower	VERB
eurjchem-972	72	19	frequencies	frequency	NOUN
eurjchem-972	72	20	(	(	PUNCT
eurjchem-972	72	21	from	from	ADP
eurjchem-972	72	22	1740	1740	NUM
eurjchem-972	72	23	to	to	ADP
eurjchem-972	72	24	1679	1679	NUM
eurjchem-972	72	25	cm‐1	cm‐1	NOUN
eurjchem-972	72	26	)	)	PUNCT
eurjchem-972	72	27	,	,	PUNCT
eurjchem-972	72	28	indicating	indicate	VERB
eurjchem-972	72	29	coordination	coordination	NOUN
eurjchem-972	72	30	of	of	ADP
eurjchem-972	72	31	the	the	DET
eurjchem-972	72	32	carbonyl	carbonyl	NOUN
eurjchem-972	72	33	group	group	NOUN
eurjchem-972	72	34	.	.	PUNCT
eurjchem-972	73	1	the	the	DET
eurjchem-972	73	2	presence	presence	NOUN
eurjchem-972	73	3	of	of	ADP
eurjchem-972	73	4	fe(iii	fe(iii	NOUN
eurjchem-972	73	5	)	)	PUNCT
eurjchem-972	73	6	impurities	impurity	NOUN
eurjchem-972	73	7	was	be	AUX
eurjchem-972	73	8	detected	detect	VERB
eurjchem-972	73	9	with	with	ADP
eurjchem-972	73	10	epr	epr	PROPN
eurjchem-972	73	11	measurements	measurement	NOUN
eurjchem-972	73	12	at	at	ADP
eurjchem-972	73	13	room	room	NOUN
eurjchem-972	73	14	temperature	temperature	NOUN
eurjchem-972	73	15	.	.	PUNCT
eurjchem-972	74	1	our	our	PRON
eurjchem-972	74	2	synthesis	synthesis	NOUN
eurjchem-972	74	3	under	under	ADP
eurjchem-972	74	4	inert	inert	NOUN
eurjchem-972	74	5	(	(	PUNCT
eurjchem-972	74	6	ar	ar	NOUN
eurjchem-972	74	7	)	)	PUNCT
eurjchem-972	74	8	atmosphere	atmosphere	NOUN
eurjchem-972	74	9	,	,	PUNCT
eurjchem-972	74	10	in	in	ADP
eurjchem-972	74	11	attempt	attempt	NOUN
eurjchem-972	74	12	to	to	PART
eurjchem-972	74	13	avoid	avoid	VERB
eurjchem-972	74	14	oxidation	oxidation	NOUN
eurjchem-972	74	15	of	of	ADP
eurjchem-972	74	16	the	the	DET
eurjchem-972	74	17	ferrous	ferrous	ADJ
eurjchem-972	74	18	ion	ion	NOUN
eurjchem-972	74	19	by	by	ADP
eurjchem-972	74	20	the	the	DET
eurjchem-972	74	21	air	air	NOUN
eurjchem-972	74	22	oxygen	oxygen	NOUN
eurjchem-972	74	23	,	,	PUNCT
eurjchem-972	74	24	still	still	ADV
eurjchem-972	74	25	led	lead	VERB
eurjchem-972	74	26	to	to	ADP
eurjchem-972	74	27	a	a	DET
eurjchem-972	74	28	product	product	NOUN
eurjchem-972	74	29	with	with	ADP
eurjchem-972	74	30	presence	presence	NOUN
eurjchem-972	74	31	of	of	ADP
eurjchem-972	74	32	fe(iii	fe(iii	NOUN
eurjchem-972	74	33	)	)	PUNCT
eurjchem-972	74	34	.	.	PUNCT
eurjchem-972	75	1	therefore	therefore	ADV
eurjchem-972	75	2	,	,	PUNCT
eurjchem-972	75	3	in	in	ADP
eurjchem-972	75	4	the	the	DET
eurjchem-972	75	5	current	current	ADJ
eurjchem-972	75	6	study	study	NOUN
eurjchem-972	75	7	,	,	PUNCT
eurjchem-972	75	8	we	we	PRON
eurjchem-972	75	9	present	present	VERB
eurjchem-972	75	10	the	the	DET
eurjchem-972	75	11	results	result	NOUN
eurjchem-972	75	12	from	from	ADP
eurjchem-972	75	13	the	the	DET
eurjchem-972	75	14	synthesis	synthesis	NOUN
eurjchem-972	75	15	in	in	ADP
eurjchem-972	75	16	aerobic	aerobic	ADJ
eurjchem-972	75	17	conditions	condition	NOUN
eurjchem-972	75	18	as	as	SCONJ
eurjchem-972	75	19	obtained	obtain	VERB
eurjchem-972	75	20	from	from	ADP
eurjchem-972	75	21	two	two	NUM
eurjchem-972	75	22	different	different	ADJ
eurjchem-972	75	23	salts	salt	NOUN
eurjchem-972	75	24	:	:	PUNCT
eurjchem-972	75	25	a	a	DET
eurjchem-972	75	26	‐	‐	NOUN
eurjchem-972	75	27	from	from	ADP
eurjchem-972	75	28	mohr	mohr	PROPN
eurjchem-972	75	29	’s	’s	PART
eurjchem-972	75	30	salt	salt	NOUN
eurjchem-972	75	31	(	(	PUNCT
eurjchem-972	75	32	ammonium	ammonium	NOUN
eurjchem-972	75	33	iron(ii)sulfate	iron(ii)sulfate	NOUN
eurjchem-972	75	34	)	)	PUNCT
eurjchem-972	75	35	and	and	CCONJ
eurjchem-972	75	36	b	b	NOUN
eurjchem-972	75	37	‐	‐	ADV
eurjchem-972	75	38	from	from	ADP
eurjchem-972	75	39	iron(ii)acetate	iron(ii)acetate	PROPN
eurjchem-972	75	40	.	.	PUNCT
eurjchem-972	76	1	the	the	DET
eurjchem-972	76	2	only	only	ADJ
eurjchem-972	76	3	difference	difference	NOUN
eurjchem-972	76	4	between	between	ADP
eurjchem-972	76	5	both	both	DET
eurjchem-972	76	6	products	product	NOUN
eurjchem-972	76	7	is	be	AUX
eurjchem-972	76	8	seen	see	VERB
eurjchem-972	76	9	in	in	ADP
eurjchem-972	76	10	their	their	PRON
eurjchem-972	76	11	mössbauer	mössbauer	NOUN
eurjchem-972	76	12	spectra	spectra	PROPN
eurjchem-972	76	13	.	.	PUNCT
eurjchem-972	77	1	the	the	DET
eurjchem-972	77	2	mössbauer	mössbauer	PROPN
eurjchem-972	77	3	parameters	parameter	NOUN
eurjchem-972	77	4	of	of	ADP
eurjchem-972	77	5	both	both	CCONJ
eurjchem-972	77	6	synthetic	synthetic	ADJ
eurjchem-972	77	7	products	product	NOUN
eurjchem-972	77	8	show	show	VERB
eurjchem-972	77	9	large	large	ADJ
eurjchem-972	77	10	amount	amount	NOUN
eurjchem-972	77	11	of	of	ADP
eurjchem-972	77	12	fe(iii	fe(iii	NOUN
eurjchem-972	77	13	)	)	PUNCT
eurjchem-972	77	14	component	component	NOUN
eurjchem-972	77	15	for	for	ADP
eurjchem-972	77	16	complex	complex	ADJ
eurjchem-972	77	17	a	a	PRON
eurjchem-972	77	18	and	and	CCONJ
eurjchem-972	77	19	about	about	ADV
eurjchem-972	77	20	14	14	NUM
eurjchem-972	77	21	%	%	NOUN
eurjchem-972	77	22	for	for	ADP
eurjchem-972	77	23	complex	complex	ADJ
eurjchem-972	77	24	b	b	PROPN
eurjchem-972	77	25	(	(	PUNCT
eurjchem-972	77	26	see	see	VERB
eurjchem-972	77	27	table	table	NOUN
eurjchem-972	77	28	1	1	NUM
eurjchem-972	77	29	)	)	PUNCT
eurjchem-972	77	30	.	.	PUNCT
eurjchem-972	78	1	therefore	therefore	ADV
eurjchem-972	78	2	,	,	PUNCT
eurjchem-972	78	3	our	our	PRON
eurjchem-972	78	4	discussion	discussion	NOUN
eurjchem-972	78	5	will	will	AUX
eurjchem-972	78	6	be	be	AUX
eurjchem-972	78	7	limited	limit	VERB
eurjchem-972	78	8	to	to	ADP
eurjchem-972	78	9	complex	complex	ADJ
eurjchem-972	78	10	b	b	NOUN
eurjchem-972	78	11	,	,	PUNCT
eurjchem-972	78	12	and	and	CCONJ
eurjchem-972	78	13	the	the	DET
eurjchem-972	78	14	data	datum	NOUN
eurjchem-972	78	15	for	for	ADP
eurjchem-972	78	16	complex	complex	ADJ
eurjchem-972	78	17	a	a	PRON
eurjchem-972	78	18	are	be	AUX
eurjchem-972	78	19	shown	show	VERB
eurjchem-972	78	20	for	for	ADP
eurjchem-972	78	21	illustration	illustration	NOUN
eurjchem-972	78	22	of	of	ADP
eurjchem-972	78	23	the	the	DET
eurjchem-972	78	24	role	role	NOUN
eurjchem-972	78	25	of	of	ADP
eurjchem-972	78	26	the	the	DET
eurjchem-972	78	27	178	178	NUM
eurjchem-972	78	28	rusanov	rusanov	NOUN
eurjchem-972	78	29	et	et	PROPN
eurjchem-972	78	30	al	al	PROPN
eurjchem-972	78	31	.	.	PUNCT
eurjchem-972	78	32	/	/	SYM
eurjchem-972	78	33	european	european	PROPN
eurjchem-972	78	34	journal	journal	PROPN
eurjchem-972	78	35	of	of	ADP
eurjchem-972	78	36	chemistry	chemistry	NOUN
eurjchem-972	78	37	5	5	NUM
eurjchem-972	78	38	(	(	PUNCT
eurjchem-972	78	39	1	1	NUM
eurjchem-972	78	40	)	)	PUNCT
eurjchem-972	78	41	(	(	PUNCT
eurjchem-972	78	42	2014	2014	NUM
eurjchem-972	78	43	)	)	PUNCT
eurjchem-972	78	44	176‐180	176‐180	PROPN
eurjchem-972	78	45	starting	start	VERB
eurjchem-972	78	46	metal	metal	NOUN
eurjchem-972	78	47	salt	salt	NOUN
eurjchem-972	78	48	for	for	ADP
eurjchem-972	78	49	stabilization	stabilization	NOUN
eurjchem-972	78	50	of	of	ADP
eurjchem-972	78	51	fe(ii	fe(ii	PROPN
eurjchem-972	78	52	)	)	PUNCT
eurjchem-972	78	53	complex	complex	NOUN
eurjchem-972	78	54	with	with	ADP
eurjchem-972	78	55	o‐	o‐	PROPN
eurjchem-972	78	56	donor	donor	NOUN
eurjchem-972	78	57	ligand	ligand	NOUN
eurjchem-972	78	58	under	under	ADP
eurjchem-972	78	59	air	air	NOUN
eurjchem-972	78	60	.	.	PUNCT
eurjchem-972	79	1	as	as	ADV
eurjchem-972	79	2	far	far	ADV
eurjchem-972	79	3	as	as	SCONJ
eurjchem-972	79	4	the	the	DET
eurjchem-972	79	5	complexation	complexation	NOUN
eurjchem-972	79	6	properties	property	NOUN
eurjchem-972	79	7	of	of	ADP
eurjchem-972	79	8	2aid	2aid	NUM
eurjchem-972	79	9	are	be	AUX
eurjchem-972	79	10	concerned	concern	VERB
eurjchem-972	79	11	,	,	PUNCT
eurjchem-972	79	12	it	it	PRON
eurjchem-972	79	13	is	be	AUX
eurjchem-972	79	14	well	well	ADV
eurjchem-972	79	15	documented	document	VERB
eurjchem-972	79	16	that	that	SCONJ
eurjchem-972	79	17	it	it	PRON
eurjchem-972	79	18	acts	act	VERB
eurjchem-972	79	19	as	as	ADP
eurjchem-972	79	20	a	a	DET
eurjchem-972	79	21	bidentate	bidentate	ADJ
eurjchem-972	79	22	ligand	ligand	NOUN
eurjchem-972	79	23	coordinating	coordinating	NOUN
eurjchem-972	79	24	after	after	ADP
eurjchem-972	79	25	deprotonation	deprotonation	NOUN
eurjchem-972	79	26	of	of	ADP
eurjchem-972	79	27	the	the	DET
eurjchem-972	79	28	exocyclic	exocyclic	ADJ
eurjchem-972	79	29	enolic	enolic	PROPN
eurjchem-972	79	30	group	group	NOUN
eurjchem-972	79	31	and	and	CCONJ
eurjchem-972	79	32	including	include	VERB
eurjchem-972	79	33	the	the	DET
eurjchem-972	79	34	metal	metal	NOUN
eurjchem-972	79	35	ion	ion	NOUN
eurjchem-972	79	36	in	in	ADP
eurjchem-972	79	37	a	a	DET
eurjchem-972	79	38	6‐	6‐	NUM
eurjchem-972	79	39	membered	membere	VERB
eurjchem-972	79	40	chelate	chelate	NOUN
eurjchem-972	79	41	ring	ring	NOUN
eurjchem-972	79	42	.	.	PUNCT
eurjchem-972	80	1	such	such	ADJ
eurjchem-972	80	2	coordination	coordination	NOUN
eurjchem-972	80	3	mode	mode	NOUN
eurjchem-972	80	4	is	be	AUX
eurjchem-972	80	5	proved	prove	VERB
eurjchem-972	80	6	by	by	ADP
eurjchem-972	80	7	the	the	DET
eurjchem-972	80	8	ir	ir	PROPN
eurjchem-972	80	9	spectra	spectra	NOUN
eurjchem-972	80	10	of	of	ADP
eurjchem-972	80	11	the	the	DET
eurjchem-972	80	12	currently	currently	ADV
eurjchem-972	80	13	studied	study	VERB
eurjchem-972	80	14	complexes	complex	NOUN
eurjchem-972	80	15	,	,	PUNCT
eurjchem-972	80	16	too	too	ADV
eurjchem-972	80	17	.	.	PUNCT
eurjchem-972	81	1	more	more	ADV
eurjchem-972	81	2	interesting	interesting	ADJ
eurjchem-972	81	3	is	be	AUX
eurjchem-972	81	4	the	the	DET
eurjchem-972	81	5	overall	overall	ADJ
eurjchem-972	81	6	geometry	geometry	NOUN
eurjchem-972	81	7	of	of	ADP
eurjchem-972	81	8	the	the	DET
eurjchem-972	81	9	fe(ii	fe(ii	PROPN
eurjchem-972	81	10	)	)	PUNCT
eurjchem-972	81	11	complex	complex	NOUN
eurjchem-972	81	12	and	and	CCONJ
eurjchem-972	81	13	its	its	PRON
eurjchem-972	81	14	spin	spin	NOUN
eurjchem-972	81	15	state	state	NOUN
eurjchem-972	81	16	.	.	PUNCT
eurjchem-972	82	1	therefore	therefore	ADV
eurjchem-972	82	2	the	the	DET
eurjchem-972	82	3	mössbauer	mössbauer	PROPN
eurjchem-972	82	4	spectra	spectra	NOUN
eurjchem-972	82	5	of	of	ADP
eurjchem-972	82	6	the	the	DET
eurjchem-972	82	7	fe(ii	fe(ii	PROPN
eurjchem-972	82	8	)	)	PUNCT
eurjchem-972	82	9	complex	complex	ADJ
eurjchem-972	82	10	b	b	PROPN
eurjchem-972	82	11	were	be	AUX
eurjchem-972	82	12	recorded	record	VERB
eurjchem-972	82	13	in	in	ADP
eurjchem-972	82	14	a	a	DET
eurjchem-972	82	15	wide	wide	ADJ
eurjchem-972	82	16	temperature	temperature	NOUN
eurjchem-972	82	17	range	range	NOUN
eurjchem-972	82	18	.	.	PUNCT
eurjchem-972	83	1	the	the	DET
eurjchem-972	83	2	spectra	spectra	NOUN
eurjchem-972	83	3	obtained	obtain	VERB
eurjchem-972	83	4	at	at	ADP
eurjchem-972	83	5	293	293	NUM
eurjchem-972	83	6	and	and	CCONJ
eurjchem-972	83	7	77	77	NUM
eurjchem-972	83	8	k	k	NOUN
eurjchem-972	83	9	are	be	AUX
eurjchem-972	83	10	presented	present	VERB
eurjchem-972	83	11	in	in	ADP
eurjchem-972	83	12	figure	figure	NOUN
eurjchem-972	83	13	1	1	NUM
eurjchem-972	83	14	.	.	PUNCT
eurjchem-972	84	1	the	the	DET
eurjchem-972	84	2	spectrum	spectrum	NOUN
eurjchem-972	84	3	at	at	ADP
eurjchem-972	84	4	liquid	liquid	ADJ
eurjchem-972	84	5	helium	helium	NOUN
eurjchem-972	84	6	temperature	temperature	NOUN
eurjchem-972	84	7	(	(	PUNCT
eurjchem-972	84	8	not	not	PART
eurjchem-972	84	9	shown	show	VERB
eurjchem-972	84	10	)	)	PUNCT
eurjchem-972	84	11	is	be	AUX
eurjchem-972	84	12	virtually	virtually	ADV
eurjchem-972	84	13	the	the	DET
eurjchem-972	84	14	same	same	ADJ
eurjchem-972	84	15	as	as	ADP
eurjchem-972	84	16	that	that	PRON
eurjchem-972	84	17	at	at	ADP
eurjchem-972	84	18	77	77	NUM
eurjchem-972	84	19	k.	k.	NOUN
eurjchem-972	84	20	in	in	ADP
eurjchem-972	84	21	all	all	DET
eurjchem-972	84	22	cases	case	NOUN
eurjchem-972	84	23	the	the	DET
eurjchem-972	84	24	spectra	spectra	NOUN
eurjchem-972	84	25	are	be	AUX
eurjchem-972	84	26	characterized	characterize	VERB
eurjchem-972	84	27	with	with	ADP
eurjchem-972	84	28	composite	composite	ADJ
eurjchem-972	84	29	structure	structure	NOUN
eurjchem-972	84	30	and	and	CCONJ
eurjchem-972	84	31	were	be	AUX
eurjchem-972	84	32	simulated	simulate	VERB
eurjchem-972	84	33	as	as	ADP
eurjchem-972	84	34	superposition	superposition	NOUN
eurjchem-972	84	35	of	of	ADP
eurjchem-972	84	36	two	two	NUM
eurjchem-972	84	37	or	or	CCONJ
eurjchem-972	84	38	three	three	NUM
eurjchem-972	84	39	components	component	NOUN
eurjchem-972	84	40	.	.	PUNCT
eurjchem-972	85	1	the	the	DET
eurjchem-972	85	2	best‐fit	best‐fit	NOUN
eurjchem-972	85	3	results	result	NOUN
eurjchem-972	85	4	of	of	ADP
eurjchem-972	85	5	the	the	DET
eurjchem-972	85	6	experimental	experimental	ADJ
eurjchem-972	85	7	spectra	spectra	NOUN
eurjchem-972	85	8	of	of	ADP
eurjchem-972	85	9	both	both	DET
eurjchem-972	85	10	fe(ii	fe(ii	PROPN
eurjchem-972	85	11	)	)	PUNCT
eurjchem-972	85	12	complexes	complexe	VERB
eurjchem-972	85	13	a	a	PRON
eurjchem-972	85	14	and	and	CCONJ
eurjchem-972	85	15	b	b	NOUN
eurjchem-972	85	16	are	be	AUX
eurjchem-972	85	17	listed	list	VERB
eurjchem-972	85	18	in	in	ADP
eurjchem-972	85	19	table	table	NOUN
eurjchem-972	85	20	1	1	NUM
eurjchem-972	85	21	.	.	PUNCT
eurjchem-972	85	22	figure	figure	NOUN
eurjchem-972	85	23	1	1	NUM
eurjchem-972	85	24	.	.	PUNCT
eurjchem-972	85	25	mössbauer	mössbauer	PROPN
eurjchem-972	85	26	spectra	spectra	PROPN
eurjchem-972	85	27	of	of	ADP
eurjchem-972	85	28	fe(ii	fe(ii	PROPN
eurjchem-972	85	29	)	)	PUNCT
eurjchem-972	85	30	complex	complex	ADJ
eurjchem-972	85	31	b	b	PROPN
eurjchem-972	85	32	of	of	ADP
eurjchem-972	85	33	2aid	2aid	NUM
eurjchem-972	85	34	recorded	record	VERB
eurjchem-972	85	35	at	at	ADP
eurjchem-972	85	36	293	293	NUM
eurjchem-972	85	37	and	and	CCONJ
eurjchem-972	85	38	77	77	NUM
eurjchem-972	85	39	k.	k.	NOUN
eurjchem-972	85	40	bar	bar	NOUN
eurjchem-972	85	41	diagrams	diagram	NOUN
eurjchem-972	85	42	indicate	indicate	VERB
eurjchem-972	85	43	the	the	DET
eurjchem-972	85	44	quadrupole	quadrupole	NOUN
eurjchem-972	85	45	doublets	doublet	NOUN
eurjchem-972	85	46	originating	originate	VERB
eurjchem-972	85	47	from	from	ADP
eurjchem-972	85	48	the	the	DET
eurjchem-972	85	49	fe(iii	fe(iii	NOUN
eurjchem-972	85	50	)	)	PUNCT
eurjchem-972	85	51	and	and	CCONJ
eurjchem-972	85	52	fe(ii	fe(ii	PROPN
eurjchem-972	85	53	)	)	PUNCT
eurjchem-972	85	54	species	specie	NOUN
eurjchem-972	85	55	.	.	PUNCT
eurjchem-972	86	1	the	the	DET
eurjchem-972	86	2	solid	solid	ADJ
eurjchem-972	86	3	curves	curve	NOUN
eurjchem-972	86	4	represent	represent	VERB
eurjchem-972	86	5	simulations	simulation	NOUN
eurjchem-972	86	6	with	with	ADP
eurjchem-972	86	7	the	the	DET
eurjchem-972	86	8	parameters	parameter	NOUN
eurjchem-972	86	9	given	give	VERB
eurjchem-972	86	10	in	in	ADP
eurjchem-972	86	11	table	table	NOUN
eurjchem-972	86	12	1	1	NUM
eurjchem-972	86	13	.	.	PUNCT
eurjchem-972	87	1	the	the	DET
eurjchem-972	87	2	room	room	NOUN
eurjchem-972	87	3	temperature	temperature	NOUN
eurjchem-972	87	4	measurement	measurement	NOUN
eurjchem-972	87	5	of	of	ADP
eurjchem-972	87	6	complex	complex	ADJ
eurjchem-972	87	7	b	b	PROPN
eurjchem-972	87	8	shows	show	VERB
eurjchem-972	87	9	the	the	DET
eurjchem-972	87	10	presence	presence	NOUN
eurjchem-972	87	11	of	of	ADP
eurjchem-972	87	12	mainly	mainly	ADV
eurjchem-972	87	13	fe(ii	fe(ii	PROPN
eurjchem-972	87	14	)	)	PUNCT
eurjchem-972	87	15	signal	signal	NOUN
eurjchem-972	87	16	,	,	PUNCT
eurjchem-972	87	17	although	although	SCONJ
eurjchem-972	87	18	small	small	ADJ
eurjchem-972	87	19	amount	amount	NOUN
eurjchem-972	87	20	of	of	ADP
eurjchem-972	87	21	fe(iii	fe(iii	NOUN
eurjchem-972	87	22	)	)	PUNCT
eurjchem-972	87	23	species	specie	NOUN
eurjchem-972	87	24	is	be	AUX
eurjchem-972	87	25	detected	detect	VERB
eurjchem-972	87	26	.	.	PUNCT
eurjchem-972	88	1	the	the	DET
eurjchem-972	88	2	quadrupole	quadrupole	NOUN
eurjchem-972	88	3	doublet	doublet	VERB
eurjchem-972	88	4	with	with	ADP
eurjchem-972	88	5	relative	relative	ADJ
eurjchem-972	88	6	intensity	intensity	NOUN
eurjchem-972	88	7	of	of	ADP
eurjchem-972	88	8	86.0(1	86.0(1	NUM
eurjchem-972	88	9	)	)	PUNCT
eurjchem-972	88	10	%	%	NOUN
eurjchem-972	88	11	has	have	VERB
eurjchem-972	88	12	mössbauer	mössbauer	NOUN
eurjchem-972	88	13	parameters	parameter	NOUN
eurjchem-972	88	14	typical	typical	ADJ
eurjchem-972	88	15	for	for	ADP
eurjchem-972	88	16	high‐spin	high‐spin	ADJ
eurjchem-972	88	17	fe(ii	fe(ii	PROPN
eurjchem-972	88	18	)	)	PUNCT
eurjchem-972	88	19	ions	ion	NOUN
eurjchem-972	88	20	.	.	PUNCT
eurjchem-972	89	1	the	the	DET
eurjchem-972	89	2	second	second	ADJ
eurjchem-972	89	3	quadrupole	quadrupole	NOUN
eurjchem-972	89	4	doublet	doublet	ADJ
eurjchem-972	89	5	with	with	ADP
eurjchem-972	89	6	relative	relative	ADJ
eurjchem-972	89	7	intensity	intensity	NOUN
eurjchem-972	89	8	of	of	ADP
eurjchem-972	89	9	14.0(1	14.0(1	NUM
eurjchem-972	89	10	)	)	PUNCT
eurjchem-972	89	11	%	%	NOUN
eurjchem-972	89	12	is	be	AUX
eurjchem-972	89	13	typical	typical	ADJ
eurjchem-972	89	14	for	for	ADP
eurjchem-972	89	15	high‐	high‐	NOUN
eurjchem-972	89	16	spin	spin	NOUN
eurjchem-972	89	17	fe(iii	fe(iii	NOUN
eurjchem-972	89	18	)	)	PUNCT
eurjchem-972	89	19	.	.	PUNCT
eurjchem-972	90	1	the	the	DET
eurjchem-972	90	2	measured	measure	VERB
eurjchem-972	90	3	is	be	AUX
eurjchem-972	90	4	and	and	CCONJ
eurjchem-972	90	5	the	the	DET
eurjchem-972	90	6	experimental	experimental	ADJ
eurjchem-972	90	7	line	line	NOUN
eurjchem-972	90	8	widths	width	NOUN
eurjchem-972	90	9	for	for	ADP
eurjchem-972	90	10	the	the	DET
eurjchem-972	90	11	fe(iii	fe(iii	NOUN
eurjchem-972	90	12	)	)	PUNCT
eurjchem-972	90	13	component	component	NOUN
eurjchem-972	90	14	at	at	ADP
eurjchem-972	90	15	rt	rt	PROPN
eurjchem-972	90	16	are	be	AUX
eurjchem-972	90	17	unusually	unusually	ADV
eurjchem-972	90	18	large	large	ADJ
eurjchem-972	90	19	(	(	PUNCT
eurjchem-972	90	20	table	table	NOUN
eurjchem-972	90	21	1	1	NUM
eurjchem-972	90	22	,	,	PUNCT
eurjchem-972	90	23	complex	complex	ADJ
eurjchem-972	90	24	b	b	NOUN
eurjchem-972	90	25	)	)	PUNCT
eurjchem-972	90	26	,	,	PUNCT
eurjchem-972	90	27	similarly	similarly	ADV
eurjchem-972	90	28	to	to	ADP
eurjchem-972	90	29	the	the	DET
eurjchem-972	90	30	already	already	ADV
eurjchem-972	90	31	reported	report	VERB
eurjchem-972	90	32	fe(iii	fe(iii	NOUN
eurjchem-972	90	33	)	)	PUNCT
eurjchem-972	90	34	complex	complex	NOUN
eurjchem-972	90	35	of	of	ADP
eurjchem-972	90	36	2aid	2aid	PROPN
eurjchem-972	90	37	[	[	X
eurjchem-972	90	38	5	5	NUM
eurjchem-972	90	39	]	]	PUNCT
eurjchem-972	90	40	.	.	PUNCT
eurjchem-972	91	1	this	this	PRON
eurjchem-972	91	2	was	be	AUX
eurjchem-972	91	3	explained	explain	VERB
eurjchem-972	91	4	by	by	ADP
eurjchem-972	91	5	temperature	temperature	NOUN
eurjchem-972	91	6	dependent	dependent	ADJ
eurjchem-972	91	7	mössbauer	mössbauer	NOUN
eurjchem-972	91	8	measurements	measurement	NOUN
eurjchem-972	91	9	with	with	ADP
eurjchem-972	91	10	spin‐spin	spin‐spin	ADJ
eurjchem-972	91	11	relaxation	relaxation	NOUN
eurjchem-972	91	12	effects	effect	NOUN
eurjchem-972	91	13	.	.	PUNCT
eurjchem-972	92	1	lowering	lower	VERB
eurjchem-972	92	2	the	the	DET
eurjchem-972	92	3	temperature	temperature	NOUN
eurjchem-972	92	4	to	to	ADP
eurjchem-972	92	5	77	77	NUM
eurjchem-972	92	6	k	k	NOUN
eurjchem-972	92	7	does	do	AUX
eurjchem-972	92	8	not	not	PART
eurjchem-972	92	9	lead	lead	VERB
eurjchem-972	92	10	to	to	ADP
eurjchem-972	92	11	large	large	ADJ
eurjchem-972	92	12	changes	change	NOUN
eurjchem-972	92	13	of	of	ADP
eurjchem-972	92	14	the	the	DET
eurjchem-972	92	15	mössbauer	mössbauer	NOUN
eurjchem-972	92	16	parameters	parameter	NOUN
eurjchem-972	92	17	of	of	ADP
eurjchem-972	92	18	both	both	DET
eurjchem-972	92	19	fe(ii)‐	fe(ii)‐	NOUN
eurjchem-972	92	20	and	and	CCONJ
eurjchem-972	92	21	fe(iii)‐	fe(iii)‐	PROPN
eurjchem-972	92	22	components	component	NOUN
eurjchem-972	92	23	,	,	PUNCT
eurjchem-972	92	24	but	but	CCONJ
eurjchem-972	92	25	23.8(5	23.8(5	NOUN
eurjchem-972	92	26	)	)	PUNCT
eurjchem-972	92	27	%	%	NOUN
eurjchem-972	92	28	of	of	ADP
eurjchem-972	92	29	the	the	DET
eurjchem-972	92	30	total	total	ADJ
eurjchem-972	92	31	experimental	experimental	ADJ
eurjchem-972	92	32	area	area	NOUN
eurjchem-972	92	33	is	be	AUX
eurjchem-972	92	34	due	due	ADJ
eurjchem-972	92	35	to	to	ADP
eurjchem-972	92	36	a	a	DET
eurjchem-972	92	37	new	new	ADJ
eurjchem-972	92	38	component	component	NOUN
eurjchem-972	92	39	with	with	ADP
eurjchem-972	92	40	values	value	NOUN
eurjchem-972	92	41	of	of	ADP
eurjchem-972	92	42	is	be	AUX
eurjchem-972	92	43	and	and	CCONJ
eurjchem-972	92	44	δeq	δeq	NOUN
eurjchem-972	92	45	that	that	PRON
eurjchem-972	92	46	are	be	AUX
eurjchem-972	92	47	characteristic	characteristic	ADJ
eurjchem-972	92	48	for	for	ADP
eurjchem-972	92	49	iron	iron	NOUN
eurjchem-972	92	50	(	(	PUNCT
eurjchem-972	92	51	ii	ii	NOUN
eurjchem-972	92	52	)	)	PUNCT
eurjchem-972	92	53	in	in	ADP
eurjchem-972	92	54	low‐spin	low‐spin	NOUN
eurjchem-972	92	55	state	state	NOUN
eurjchem-972	92	56	(	(	PUNCT
eurjchem-972	92	57	s	s	NOUN
eurjchem-972	92	58	=	=	NOUN
eurjchem-972	92	59	0	0	NUM
eurjchem-972	92	60	)	)	PUNCT
eurjchem-972	92	61	.	.	PUNCT
eurjchem-972	93	1	these	these	DET
eurjchem-972	93	2	results	result	NOUN
eurjchem-972	93	3	suggest	suggest	VERB
eurjchem-972	93	4	that	that	SCONJ
eurjchem-972	93	5	the	the	DET
eurjchem-972	93	6	so‐called	so‐calle	VERB
eurjchem-972	93	7	spin‐crossover	spin‐crossover	NOUN
eurjchem-972	93	8	process	process	NOUN
eurjchem-972	93	9	probably	probably	ADV
eurjchem-972	93	10	takes	take	VERB
eurjchem-972	93	11	place	place	NOUN
eurjchem-972	93	12	.	.	PUNCT
eurjchem-972	94	1	however	however	ADV
eurjchem-972	94	2	,	,	PUNCT
eurjchem-972	94	3	the	the	DET
eurjchem-972	94	4	mössbauer	mössbauer	PROPN
eurjchem-972	94	5	spectrum	spectrum	PROPN
eurjchem-972	94	6	recorded	record	VERB
eurjchem-972	94	7	at	at	ADP
eurjchem-972	94	8	4.2	4.2	NUM
eurjchem-972	94	9	k	k	AUX
eurjchem-972	94	10	do	do	AUX
eurjchem-972	94	11	not	not	PART
eurjchem-972	94	12	show	show	VERB
eurjchem-972	94	13	further	further	ADJ
eurjchem-972	94	14	changes	change	NOUN
eurjchem-972	94	15	remaining	remain	VERB
eurjchem-972	94	16	identical	identical	ADJ
eurjchem-972	94	17	to	to	ADP
eurjchem-972	94	18	the	the	DET
eurjchem-972	94	19	one	one	NUM
eurjchem-972	94	20	at	at	ADP
eurjchem-972	94	21	77	77	NUM
eurjchem-972	94	22	k.	k.	NOUN
eurjchem-972	95	1	the	the	DET
eurjchem-972	95	2	main	main	ADJ
eurjchem-972	95	3	component	component	NOUN
eurjchem-972	95	4	is	be	AUX
eurjchem-972	95	5	still	still	ADV
eurjchem-972	95	6	the	the	DET
eurjchem-972	95	7	one	one	NOUN
eurjchem-972	95	8	attributed	attribute	VERB
eurjchem-972	95	9	to	to	ADP
eurjchem-972	95	10	the	the	DET
eurjchem-972	95	11	high‐spin	high‐spin	NOUN
eurjchem-972	95	12	fe(ii	fe(ii	PROPN
eurjchem-972	95	13	)	)	PUNCT
eurjchem-972	95	14	containing	contain	VERB
eurjchem-972	95	15	compound	compound	NOUN
eurjchem-972	95	16	(	(	PUNCT
eurjchem-972	95	17	with	with	ADP
eurjchem-972	95	18	relative	relative	ADJ
eurjchem-972	95	19	intensity	intensity	NOUN
eurjchem-972	95	20	of	of	ADP
eurjchem-972	95	21	70.0(1	70.0(1	NUM
eurjchem-972	95	22	)	)	PUNCT
eurjchem-972	95	23	%	%	NOUN
eurjchem-972	95	24	)	)	PUNCT
eurjchem-972	95	25	.	.	PUNCT
eurjchem-972	96	1	this	this	DET
eurjchem-972	96	2	fact	fact	NOUN
eurjchem-972	96	3	rises	rise	VERB
eurjchem-972	96	4	the	the	DET
eurjchem-972	96	5	question	question	NOUN
eurjchem-972	96	6	whether	whether	SCONJ
eurjchem-972	96	7	the	the	DET
eurjchem-972	96	8	observed	observe	VERB
eurjchem-972	96	9	spectral	spectral	ADJ
eurjchem-972	96	10	changes	change	NOUN
eurjchem-972	96	11	are	be	AUX
eurjchem-972	96	12	caused	cause	VERB
eurjchem-972	96	13	by	by	ADP
eurjchem-972	96	14	spin‐	spin‐	NOUN
eurjchem-972	96	15	crossover	crossover	ADP
eurjchem-972	96	16	process	process	NOUN
eurjchem-972	96	17	with	with	ADP
eurjchem-972	96	18	very	very	ADV
eurjchem-972	96	19	low	low	ADJ
eurjchem-972	96	20	rate	rate	NOUN
eurjchem-972	96	21	due	due	ADP
eurjchem-972	96	22	to	to	ADP
eurjchem-972	96	23	the	the	DET
eurjchem-972	96	24	presence	presence	NOUN
eurjchem-972	96	25	of	of	ADP
eurjchem-972	96	26	ferric(iii	ferric(iii	NOUN
eurjchem-972	96	27	)	)	PUNCT
eurjchem-972	96	28	ions	ion	NOUN
eurjchem-972	96	29	in	in	ADP
eurjchem-972	96	30	high‐spin	high‐spin	ADJ
eurjchem-972	96	31	state	state	NOUN
eurjchem-972	96	32	,	,	PUNCT
eurjchem-972	96	33	which	which	PRON
eurjchem-972	96	34	stabilize	stabilize	VERB
eurjchem-972	96	35	the	the	DET
eurjchem-972	96	36	high‐spin	high‐spin	ADJ
eurjchem-972	96	37	state	state	NOUN
eurjchem-972	96	38	for	for	ADP
eurjchem-972	96	39	ferrous(ii	ferrous(ii	ADJ
eurjchem-972	96	40	)	)	PUNCT
eurjchem-972	96	41	ions	ion	NOUN
eurjchem-972	96	42	,	,	PUNCT
eurjchem-972	96	43	or	or	CCONJ
eurjchem-972	96	44	has	have	VERB
eurjchem-972	96	45	another	another	DET
eurjchem-972	96	46	origin	origin	NOUN
eurjchem-972	96	47	.	.	PUNCT
eurjchem-972	97	1	the	the	DET
eurjchem-972	97	2	value	value	NOUN
eurjchem-972	97	3	of	of	ADP
eurjchem-972	97	4	isomer	isomer	ADJ
eurjchem-972	97	5	shift	shift	NOUN
eurjchem-972	97	6	of	of	ADP
eurjchem-972	97	7	the	the	DET
eurjchem-972	97	8	subspestrum	subspestrum	NOUN
eurjchem-972	97	9	attributed	attribute	VERB
eurjchem-972	97	10	to	to	ADP
eurjchem-972	97	11	fe(ii	fe(ii	PROPN
eurjchem-972	97	12	)	)	PUNCT
eurjchem-972	97	13	complex	complex	NOUN
eurjchem-972	97	14	is	be	AUX
eurjchem-972	97	15	1.26	1.26	NUM
eurjchem-972	97	16	mm	mm	NOUN
eurjchem-972	97	17	/	/	SYM
eurjchem-972	97	18	s	s	PROPN
eurjchem-972	97	19	at	at	ADP
eurjchem-972	97	20	77	77	NUM
eurjchem-972	97	21	k	k	NOUN
eurjchem-972	97	22	,	,	PUNCT
eurjchem-972	97	23	which	which	PRON
eurjchem-972	97	24	is	be	AUX
eurjchem-972	97	25	typical	typical	ADJ
eurjchem-972	97	26	for	for	ADP
eurjchem-972	97	27	ferrous	ferrous	ADJ
eurjchem-972	97	28	ion	ion	NOUN
eurjchem-972	97	29	in	in	ADP
eurjchem-972	97	30	octahedral	octahedral	ADJ
eurjchem-972	97	31	environment	environment	NOUN
eurjchem-972	97	32	.	.	PUNCT
eurjchem-972	98	1	as	as	SCONJ
eurjchem-972	98	2	is	be	AUX
eurjchem-972	98	3	already	already	ADV
eurjchem-972	98	4	known	know	VERB
eurjchem-972	98	5	[	[	PUNCT
eurjchem-972	98	6	20	20	NUM
eurjchem-972	98	7	]	]	PUNCT
eurjchem-972	98	8	,	,	PUNCT
eurjchem-972	98	9	for	for	ADP
eurjchem-972	98	10	four	four	NUM
eurjchem-972	98	11	coordination	coordination	NOUN
eurjchem-972	98	12	with	with	ADP
eurjchem-972	98	13	oxygen	oxygen	NOUN
eurjchem-972	98	14	ligands	ligand	NOUN
eurjchem-972	98	15	a	a	DET
eurjchem-972	98	16	value	value	NOUN
eurjchem-972	98	17	for	for	ADP
eurjchem-972	98	18	is	be	AUX
eurjchem-972	98	19	of	of	ADP
eurjchem-972	98	20	1	1	NUM
eurjchem-972	98	21	mm	mm	NOUN
eurjchem-972	98	22	/	/	SYM
eurjchem-972	98	23	s	s	PART
eurjchem-972	98	24	is	be	AUX
eurjchem-972	98	25	expected	expect	VERB
eurjchem-972	98	26	at	at	ADP
eurjchem-972	98	27	temperatures	temperature	NOUN
eurjchem-972	98	28	below	below	ADP
eurjchem-972	98	29	77	77	NUM
eurjchem-972	98	30	k	k	NOUN
eurjchem-972	98	31	,	,	PUNCT
eurjchem-972	98	32	whereas	whereas	SCONJ
eurjchem-972	98	33	six‐	six‐	NOUN
eurjchem-972	98	34	coordination	coordination	NOUN
eurjchem-972	98	35	leads	lead	VERB
eurjchem-972	98	36	to	to	ADP
eurjchem-972	98	37	is	be	AUX
eurjchem-972	98	38	>	>	X
eurjchem-972	98	39	1.2	1.2	NUM
eurjchem-972	98	40	mm	mm	NOUN
eurjchem-972	98	41	/	/	SYM
eurjchem-972	98	42	s.	s.	PROPN
eurjchem-972	98	43	this	this	PRON
eurjchem-972	98	44	is	be	AUX
eurjchem-972	98	45	explained	explain	VERB
eurjchem-972	98	46	with	with	ADP
eurjchem-972	98	47	shorter	short	ADJ
eurjchem-972	98	48	bond	bond	NOUN
eurjchem-972	98	49	lengths	length	NOUN
eurjchem-972	98	50	in	in	ADP
eurjchem-972	98	51	four‐coordination	four‐coordination	NOUN
eurjchem-972	98	52	mode	mode	NOUN
eurjchem-972	98	53	with	with	ADP
eurjchem-972	98	54	respect	respect	NOUN
eurjchem-972	98	55	to	to	ADP
eurjchem-972	98	56	six‐coordination	six‐coordination	NOUN
eurjchem-972	98	57	one	one	NUM
eurjchem-972	98	58	,	,	PUNCT
eurjchem-972	98	59	which	which	PRON
eurjchem-972	98	60	would	would	AUX
eurjchem-972	98	61	increase	increase	VERB
eurjchem-972	98	62	the	the	DET
eurjchem-972	98	63	s‐density	s‐density	NOUN
eurjchem-972	98	64	at	at	ADP
eurjchem-972	98	65	fe	fe	X
eurjchem-972	98	66	nucleus	nucleus	NOUN
eurjchem-972	98	67	and	and	CCONJ
eurjchem-972	98	68	hence	hence	ADV
eurjchem-972	98	69	reduce	reduce	VERB
eurjchem-972	98	70	the	the	DET
eurjchem-972	98	71	isomer	isomer	ADJ
eurjchem-972	98	72	shift	shift	NOUN
eurjchem-972	98	73	.	.	PUNCT
eurjchem-972	99	1	that	that	PRON
eurjchem-972	99	2	is	be	AUX
eurjchem-972	99	3	why	why	SCONJ
eurjchem-972	99	4	it	it	PRON
eurjchem-972	99	5	has	have	AUX
eurjchem-972	99	6	been	be	AUX
eurjchem-972	99	7	concluded	conclude	VERB
eurjchem-972	99	8	that	that	SCONJ
eurjchem-972	99	9	the	the	DET
eurjchem-972	99	10	high‐spin	high‐spin	ADJ
eurjchem-972	99	11	ferrous	ferrous	ADJ
eurjchem-972	99	12	(	(	PUNCT
eurjchem-972	99	13	ii	ii	NOUN
eurjchem-972	99	14	)	)	PUNCT
eurjchem-972	99	15	ion	ion	NOUN
eurjchem-972	99	16	in	in	ADP
eurjchem-972	99	17	the	the	DET
eurjchem-972	99	18	studied	studied	ADJ
eurjchem-972	99	19	complex	complex	NOUN
eurjchem-972	99	20	is	be	AUX
eurjchem-972	99	21	six‐coordinated	six‐coordinate	VERB
eurjchem-972	99	22	.	.	PUNCT
eurjchem-972	100	1	based	base	VERB
eurjchem-972	100	2	on	on	ADP
eurjchem-972	100	3	these	these	DET
eurjchem-972	100	4	results	result	NOUN
eurjchem-972	100	5	we	we	PRON
eurjchem-972	100	6	suggest	suggest	VERB
eurjchem-972	100	7	an	an	DET
eurjchem-972	100	8	octahedral	octahedral	ADJ
eurjchem-972	100	9	structure	structure	NOUN
eurjchem-972	100	10	for	for	ADP
eurjchem-972	100	11	fe(ii	fe(ii	PROPN
eurjchem-972	100	12	)	)	PUNCT
eurjchem-972	100	13	complex	complex	NOUN
eurjchem-972	100	14	of	of	ADP
eurjchem-972	100	15	2aid	2aid	NUM
eurjchem-972	100	16	where	where	SCONJ
eurjchem-972	100	17	two	two	NUM
eurjchem-972	100	18	ligand	ligand	ADJ
eurjchem-972	100	19	molecules	molecule	NOUN
eurjchem-972	100	20	lie	lie	VERB
eurjchem-972	100	21	in	in	ADP
eurjchem-972	100	22	the	the	DET
eurjchem-972	100	23	equatorial	equatorial	ADJ
eurjchem-972	100	24	plane	plane	NOUN
eurjchem-972	100	25	and	and	CCONJ
eurjchem-972	100	26	the	the	DET
eurjchem-972	100	27	axial	axial	ADJ
eurjchem-972	100	28	positions	position	NOUN
eurjchem-972	100	29	are	be	AUX
eurjchem-972	100	30	occupied	occupy	VERB
eurjchem-972	100	31	with	with	ADP
eurjchem-972	100	32	o‐atom	o‐atom	NUM
eurjchem-972	100	33	of	of	ADP
eurjchem-972	100	34	the	the	DET
eurjchem-972	100	35	non‐coordinated	non‐coordinated	ADJ
eurjchem-972	100	36	carbonyl	carbonyl	NOUN
eurjchem-972	100	37	group	group	NOUN
eurjchem-972	100	38	from	from	ADP
eurjchem-972	100	39	neigbouring	neigboure	VERB
eurjchem-972	100	40	complex	complex	ADJ
eurjchem-972	100	41	molecules	molecule	NOUN
eurjchem-972	100	42	.	.	PUNCT
eurjchem-972	101	1	another	another	DET
eurjchem-972	101	2	feature	feature	NOUN
eurjchem-972	101	3	of	of	ADP
eurjchem-972	101	4	the	the	DET
eurjchem-972	101	5	temperature	temperature	NOUN
eurjchem-972	101	6	dependent	dependent	ADJ
eurjchem-972	101	7	mössbauer	mössbauer	NOUN
eurjchem-972	101	8	measurements	measurement	NOUN
eurjchem-972	101	9	of	of	ADP
eurjchem-972	101	10	the	the	DET
eurjchem-972	101	11	fe(ii	fe(ii	PROPN
eurjchem-972	101	12	)	)	PUNCT
eurjchem-972	101	13	complex	complex	NOUN
eurjchem-972	101	14	of	of	ADP
eurjchem-972	101	15	2aid	2aid	PROPN
eurjchem-972	101	16	is	be	AUX
eurjchem-972	101	17	the	the	DET
eurjchem-972	101	18	increase	increase	NOUN
eurjchem-972	101	19	of	of	ADP
eurjchem-972	101	20	the	the	DET
eurjchem-972	101	21	spectral	spectral	ADJ
eurjchem-972	101	22	intensity	intensity	NOUN
eurjchem-972	101	23	.	.	PUNCT
eurjchem-972	102	1	the	the	DET
eurjchem-972	102	2	mössbauer	mössbauer	PROPN
eurjchem-972	102	3	effect	effect	NOUN
eurjchem-972	102	4	measured	measure	VERB
eurjchem-972	102	5	at	at	ADP
eurjchem-972	102	6	room	room	NOUN
eurjchem-972	102	7	temperature	temperature	NOUN
eurjchem-972	102	8	is	be	AUX
eurjchem-972	102	9	about	about	ADV
eurjchem-972	102	10	6	6	NUM
eurjchem-972	102	11	%	%	NOUN
eurjchem-972	102	12	,	,	PUNCT
eurjchem-972	102	13	whereas	whereas	SCONJ
eurjchem-972	102	14	the	the	DET
eurjchem-972	102	15	one	one	NOUN
eurjchem-972	102	16	observed	observe	VERB
eurjchem-972	102	17	at	at	ADP
eurjchem-972	102	18	77	77	NUM
eurjchem-972	102	19	k	k	NOUN
eurjchem-972	102	20	is	be	AUX
eurjchem-972	102	21	about	about	ADV
eurjchem-972	102	22	12	12	NUM
eurjchem-972	102	23	%	%	NOUN
eurjchem-972	102	24	.	.	PUNCT
eurjchem-972	103	1	such	such	ADJ
eurjchem-972	103	2	two	two	NUM
eurjchem-972	103	3	times	time	NOUN
eurjchem-972	103	4	increase	increase	NOUN
eurjchem-972	103	5	in	in	ADP
eurjchem-972	103	6	the	the	DET
eurjchem-972	103	7	intensity	intensity	NOUN
eurjchem-972	103	8	with	with	ADP
eurjchem-972	103	9	the	the	DET
eurjchem-972	103	10	temperature	temperature	NOUN
eurjchem-972	103	11	decrease	decrease	NOUN
eurjchem-972	103	12	would	would	AUX
eurjchem-972	103	13	suggest	suggest	VERB
eurjchem-972	103	14	that	that	SCONJ
eurjchem-972	103	15	the	the	DET
eurjchem-972	103	16	central	central	ADJ
eurjchem-972	103	17	iron	iron	NOUN
eurjchem-972	103	18	ions	ion	NOUN
eurjchem-972	103	19	are	be	AUX
eurjchem-972	103	20	weakly	weakly	ADV
eurjchem-972	103	21	bound	bind	VERB
eurjchem-972	103	22	to	to	ADP
eurjchem-972	103	23	the	the	DET
eurjchem-972	103	24	ligands	ligand	NOUN
eurjchem-972	103	25	,	,	PUNCT
eurjchem-972	103	26	which	which	PRON
eurjchem-972	103	27	allows	allow	VERB
eurjchem-972	103	28	large	large	ADJ
eurjchem-972	103	29	variations	variation	NOUN
eurjchem-972	103	30	of	of	ADP
eurjchem-972	103	31	the	the	DET
eurjchem-972	103	32	nuclei	nucleus	NOUN
eurjchem-972	103	33	positions	position	NOUN
eurjchem-972	103	34	with	with	ADP
eurjchem-972	103	35	large	large	ADJ
eurjchem-972	103	36	mean	mean	ADJ
eurjchem-972	103	37	square	square	ADJ
eurjchem-972	103	38	displacement	displacement	NOUN
eurjchem-972	103	39	.	.	PUNCT
eurjchem-972	104	1	this	this	PRON
eurjchem-972	104	2	also	also	ADV
eurjchem-972	104	3	explains	explain	VERB
eurjchem-972	104	4	the	the	DET
eurjchem-972	104	5	increase	increase	NOUN
eurjchem-972	104	6	of	of	ADP
eurjchem-972	104	7	the	the	DET
eurjchem-972	104	8	experimental	experimental	ADJ
eurjchem-972	104	9	line	line	NOUN
eurjchem-972	104	10	widths	width	NOUN
eurjchem-972	104	11	with	with	ADP
eurjchem-972	104	12	lowering	lower	VERB
eurjchem-972	104	13	the	the	DET
eurjchem-972	104	14	temperature	temperature	NOUN
eurjchem-972	104	15	,	,	PUNCT
eurjchem-972	104	16	from	from	ADP
eurjchem-972	104	17	0.26	0.26	NUM
eurjchem-972	104	18	to	to	ADP
eurjchem-972	104	19	0.34	0.34	NUM
eurjchem-972	104	20	mm	mm	NOUN
eurjchem-972	104	21	/	/	SYM
eurjchem-972	104	22	s.	s.	PROPN
eurjchem-972	104	23	3.2	3.2	NUM
eurjchem-972	104	24	.	.	PUNCT
eurjchem-972	105	1	quantum	quantum	ADJ
eurjchem-972	105	2	chemical	chemical	NOUN
eurjchem-972	105	3	calculations	calculation	NOUN
eurjchem-972	105	4	in	in	ADP
eurjchem-972	105	5	order	order	NOUN
eurjchem-972	105	6	to	to	PART
eurjchem-972	105	7	find	find	VERB
eurjchem-972	105	8	explanation	explanation	NOUN
eurjchem-972	105	9	of	of	ADP
eurjchem-972	105	10	the	the	DET
eurjchem-972	105	11	obtained	obtain	VERB
eurjchem-972	105	12	mössbauer	mössbauer	NOUN
eurjchem-972	105	13	parameters	parameter	NOUN
eurjchem-972	105	14	we	we	PRON
eurjchem-972	105	15	performed	perform	VERB
eurjchem-972	105	16	quantum	quantum	ADJ
eurjchem-972	105	17	chemical	chemical	NOUN
eurjchem-972	105	18	calculations	calculation	NOUN
eurjchem-972	105	19	on	on	ADP
eurjchem-972	105	20	model	model	NOUN
eurjchem-972	105	21	structures	structure	NOUN
eurjchem-972	105	22	of	of	ADP
eurjchem-972	105	23	fe(ii	fe(ii	PROPN
eurjchem-972	105	24	)	)	PUNCT
eurjchem-972	105	25	complexes	complex	NOUN
eurjchem-972	105	26	of	of	ADP
eurjchem-972	105	27	2aid	2aid	NUM
eurjchem-972	105	28	.	.	PUNCT
eurjchem-972	106	1	as	as	SCONJ
eurjchem-972	106	2	suggested	suggest	VERB
eurjchem-972	106	3	from	from	ADP
eurjchem-972	106	4	the	the	DET
eurjchem-972	106	5	experimental	experimental	ADJ
eurjchem-972	106	6	data	datum	NOUN
eurjchem-972	106	7	the	the	DET
eurjchem-972	106	8	complex	complex	NOUN
eurjchem-972	106	9	has	have	VERB
eurjchem-972	106	10	composition	composition	NOUN
eurjchem-972	106	11	of	of	ADP
eurjchem-972	106	12	fe(2aid)2	fe(2aid)2	NOUN
eurjchem-972	106	13	pointing	point	VERB
eurjchem-972	106	14	to	to	ADP
eurjchem-972	106	15	tetrahedral	tetrahedral	ADJ
eurjchem-972	106	16	structure	structure	NOUN
eurjchem-972	106	17	.	.	PUNCT
eurjchem-972	107	1	on	on	ADP
eurjchem-972	107	2	the	the	DET
eurjchem-972	107	3	other	other	ADJ
eurjchem-972	107	4	hand	hand	NOUN
eurjchem-972	107	5	the	the	DET
eurjchem-972	107	6	measured	measure	VERB
eurjchem-972	107	7	isomer	isomer	ADJ
eurjchem-972	107	8	shift	shift	NOUN
eurjchem-972	107	9	of	of	ADP
eurjchem-972	107	10	1.26	1.26	NUM
eurjchem-972	107	11	mm	mm	NOUN
eurjchem-972	107	12	/	/	SYM
eurjchem-972	107	13	s	s	PART
eurjchem-972	107	14	is	be	AUX
eurjchem-972	107	15	more	more	ADV
eurjchem-972	107	16	typical	typical	ADJ
eurjchem-972	107	17	for	for	SCONJ
eurjchem-972	107	18	an	an	DET
eurjchem-972	107	19	fe(ii	fe(ii	PROPN
eurjchem-972	107	20	)	)	PUNCT
eurjchem-972	107	21	bound	bind	VERB
eurjchem-972	107	22	to	to	ADP
eurjchem-972	107	23	six	six	NUM
eurjchem-972	107	24	o‐atoms	o‐atom	NOUN
eurjchem-972	107	25	,	,	PUNCT
eurjchem-972	107	26	as	as	SCONJ
eurjchem-972	107	27	discussed	discuss	VERB
eurjchem-972	107	28	above	above	ADV
eurjchem-972	107	29	.	.	PUNCT
eurjchem-972	108	1	therefore	therefore	ADV
eurjchem-972	108	2	,	,	PUNCT
eurjchem-972	108	3	it	it	PRON
eurjchem-972	108	4	might	might	AUX
eurjchem-972	108	5	be	be	AUX
eurjchem-972	108	6	supposed	suppose	VERB
eurjchem-972	108	7	that	that	SCONJ
eurjchem-972	108	8	the	the	DET
eurjchem-972	108	9	axial	axial	ADJ
eurjchem-972	108	10	position	position	NOUN
eurjchem-972	108	11	of	of	ADP
eurjchem-972	108	12	the	the	DET
eurjchem-972	108	13	octahedron	octahedron	NOUN
eurjchem-972	108	14	are	be	AUX
eurjchem-972	108	15	occupied	occupy	VERB
eurjchem-972	108	16	with	with	ADP
eurjchem-972	108	17	the	the	DET
eurjchem-972	108	18	non‐coordinated	non‐coordinated	ADJ
eurjchem-972	108	19	carbonyl	carbonyl	NOUN
eurjchem-972	108	20	oxygens	oxygen	NOUN
eurjchem-972	108	21	from	from	ADP
eurjchem-972	108	22	neighbouring	neighbouring	ADJ
eurjchem-972	108	23	molecules	molecule	NOUN
eurjchem-972	108	24	.	.	PUNCT
eurjchem-972	109	1	in	in	ADP
eurjchem-972	109	2	order	order	NOUN
eurjchem-972	109	3	to	to	PART
eurjchem-972	109	4	model	model	VERB
eurjchem-972	109	5	such	such	ADJ
eurjchem-972	109	6	intermolecular	intermolecular	ADJ
eurjchem-972	109	7	interaction	interaction	NOUN
eurjchem-972	109	8	with	with	ADP
eurjchem-972	109	9	a	a	DET
eurjchem-972	109	10	reasonable	reasonable	ADJ
eurjchem-972	109	11	computational	computational	ADJ
eurjchem-972	109	12	cost	cost	NOUN
eurjchem-972	109	13	,	,	PUNCT
eurjchem-972	109	14	octahedral	octahedral	ADJ
eurjchem-972	109	15	structures	structure	NOUN
eurjchem-972	109	16	for	for	ADP
eurjchem-972	109	17	the	the	DET
eurjchem-972	109	18	fe(ii	fe(ii	PROPN
eurjchem-972	109	19	)	)	PUNCT
eurjchem-972	109	20	complex	complex	NOUN
eurjchem-972	109	21	were	be	AUX
eurjchem-972	109	22	constructed	construct	VERB
eurjchem-972	109	23	by	by	ADP
eurjchem-972	109	24	coordinating	coordinate	VERB
eurjchem-972	109	25	water	water	NOUN
eurjchem-972	109	26	molecules	molecule	NOUN
eurjchem-972	109	27	on	on	ADP
eurjchem-972	109	28	the	the	DET
eurjchem-972	109	29	axial	axial	ADJ
eurjchem-972	109	30	positions	position	NOUN
eurjchem-972	109	31	.	.	PUNCT
eurjchem-972	110	1	the	the	DET
eurjchem-972	110	2	model	model	NOUN
eurjchem-972	110	3	structures	structure	NOUN
eurjchem-972	110	4	were	be	AUX
eurjchem-972	110	5	optimized	optimize	VERB
eurjchem-972	110	6	with	with	ADP
eurjchem-972	110	7	two	two	NUM
eurjchem-972	110	8	different	different	ADJ
eurjchem-972	110	9	functionals	functional	NOUN
eurjchem-972	110	10	(	(	PUNCT
eurjchem-972	110	11	pw91	pw91	PROPN
eurjchem-972	110	12	and	and	CCONJ
eurjchem-972	110	13	opbe	opbe	ADJ
eurjchem-972	110	14	)	)	PUNCT
eurjchem-972	110	15	.	.	PUNCT
eurjchem-972	111	1	optimizations	optimization	NOUN
eurjchem-972	111	2	were	be	AUX
eurjchem-972	111	3	performed	perform	VERB
eurjchem-972	111	4	for	for	ADP
eurjchem-972	111	5	the	the	DET
eurjchem-972	111	6	three	three	NUM
eurjchem-972	111	7	different	different	ADJ
eurjchem-972	111	8	spin	spin	NOUN
eurjchem-972	111	9	states	state	NOUN
eurjchem-972	111	10	originating	originate	VERB
eurjchem-972	111	11	from	from	ADP
eurjchem-972	111	12	the	the	DET
eurjchem-972	111	13	d6	d6	NOUN
eurjchem-972	111	14	electron	electron	NOUN
eurjchem-972	111	15	configuration	configuration	NOUN
eurjchem-972	111	16	of	of	ADP
eurjchem-972	111	17	fe(ii	fe(ii	PROPN
eurjchem-972	111	18	)	)	PUNCT
eurjchem-972	111	19	with	with	ADP
eurjchem-972	111	20	total	total	ADJ
eurjchem-972	111	21	spin	spin	NOUN
eurjchem-972	111	22	s	s	PART
eurjchem-972	111	23	=	=	NOUN
eurjchem-972	111	24	0	0	NUM
eurjchem-972	111	25	,	,	PUNCT
eurjchem-972	111	26	1	1	NUM
eurjchem-972	111	27	or	or	CCONJ
eurjchem-972	111	28	2	2	NUM
eurjchem-972	111	29	.	.	PUNCT
eurjchem-972	111	30	following	follow	VERB
eurjchem-972	111	31	the	the	DET
eurjchem-972	111	32	procedure	procedure	NOUN
eurjchem-972	111	33	for	for	ADP
eurjchem-972	111	34	quantum	quantum	ADJ
eurjchem-972	111	35	chemical	chemical	NOUN
eurjchem-972	111	36	calculations	calculation	NOUN
eurjchem-972	111	37	of	of	ADP
eurjchem-972	111	38	isomer	isomer	ADJ
eurjchem-972	111	39	shift	shift	NOUN
eurjchem-972	111	40	(	(	PUNCT
eurjchem-972	111	41	is	be	AUX
eurjchem-972	111	42	)	)	PUNCT
eurjchem-972	111	43	and	and	CCONJ
eurjchem-972	111	44	the	the	DET
eurjchem-972	111	45	quadrupole	quadrupole	NOUN
eurjchem-972	111	46	splitting	splitting	NOUN
eurjchem-972	111	47	(	(	PUNCT
eurjchem-972	111	48	qs	qs	NOUN
eurjchem-972	111	49	)	)	PUNCT
eurjchem-972	111	50	,	,	PUNCT
eurjchem-972	111	51	suggested	suggest	VERB
eurjchem-972	111	52	by	by	ADP
eurjchem-972	111	53	han	han	PROPN
eurjchem-972	111	54	and	and	CCONJ
eurjchem-972	111	55	noodleman	noodleman	PROPN
eurjchem-972	111	56	,	,	PUNCT
eurjchem-972	111	57	we	we	PRON
eurjchem-972	111	58	used	use	VERB
eurjchem-972	111	59	their	their	PRON
eurjchem-972	111	60	correlation	correlation	NOUN
eurjchem-972	111	61	formula	formula	NOUN
eurjchem-972	111	62	as	as	SCONJ
eurjchem-972	111	63	listed	list	VERB
eurjchem-972	111	64	in	in	ADP
eurjchem-972	111	65	the	the	DET
eurjchem-972	111	66	experimental	experimental	ADJ
eurjchem-972	111	67	part	part	NOUN
eurjchem-972	111	68	(	(	PUNCT
eurjchem-972	111	69	equations	equation	NOUN
eurjchem-972	111	70	2‐5	2‐5	PROPN
eurjchem-972	111	71	)	)	PUNCT
eurjchem-972	111	72	.	.	PUNCT
eurjchem-972	112	1	although	although	SCONJ
eurjchem-972	112	2	spin‐orbit	spin‐orbit	NOUN
eurjchem-972	112	3	coupling	coupling	NOUN
eurjchem-972	112	4	is	be	AUX
eurjchem-972	112	5	non‐negligible	non‐negligible	ADJ
eurjchem-972	112	6	for	for	ADP
eurjchem-972	112	7	the	the	DET
eurjchem-972	112	8	fe‐compounds	fe‐compound	NOUN
eurjchem-972	112	9	,	,	PUNCT
eurjchem-972	112	10	several	several	ADJ
eurjchem-972	112	11	reports	report	NOUN
eurjchem-972	112	12	have	have	AUX
eurjchem-972	112	13	demonstrated	demonstrate	VERB
eurjchem-972	112	14	that	that	SCONJ
eurjchem-972	112	15	the	the	DET
eurjchem-972	112	16	correlation	correlation	NOUN
eurjchem-972	112	17	fit	fit	ADJ
eurjchem-972	112	18	parameters	parameter	NOUN
eurjchem-972	112	19	are	be	AUX
eurjchem-972	112	20	almost	almost	ADV
eurjchem-972	112	21	insensitive	insensitive	ADJ
eurjchem-972	112	22	to	to	ADP
eurjchem-972	112	23	the	the	DET
eurjchem-972	112	24	type	type	NOUN
eurjchem-972	112	25	of	of	ADP
eurjchem-972	112	26	the	the	DET
eurjchem-972	112	27	employed	employ	VERB
eurjchem-972	112	28	method	method	NOUN
eurjchem-972	112	29	,	,	PUNCT
eurjchem-972	112	30	non‐	non‐	ADV
eurjchem-972	112	31	relativistic	relativistic	ADJ
eurjchem-972	112	32	or	or	CCONJ
eurjchem-972	112	33	the	the	DET
eurjchem-972	112	34	scalar	scalar	ADJ
eurjchem-972	112	35	relativistic	relativistic	ADJ
eurjchem-972	112	36	zora	zora	PROPN
eurjchem-972	112	37	dft	dft	PROPN
eurjchem-972	113	1	[	[	X
eurjchem-972	113	2	12,21,22	12,21,22	NUM
eurjchem-972	113	3	]	]	PUNCT
eurjchem-972	113	4	.	.	PUNCT
eurjchem-972	114	1	that	that	PRON
eurjchem-972	114	2	was	be	AUX
eurjchem-972	114	3	the	the	DET
eurjchem-972	114	4	reason	reason	NOUN
eurjchem-972	114	5	for	for	ADP
eurjchem-972	114	6	our	our	PRON
eurjchem-972	114	7	choice	choice	NOUN
eurjchem-972	114	8	of	of	ADP
eurjchem-972	114	9	correlation	correlation	NOUN
eurjchem-972	114	10	formulas	formula	NOUN
eurjchem-972	114	11	based	base	VERB
eurjchem-972	114	12	on	on	ADP
eurjchem-972	114	13	the	the	DET
eurjchem-972	114	14	computational	computational	ADJ
eurjchem-972	114	15	methods	method	NOUN
eurjchem-972	114	16	with	with	ADP
eurjchem-972	114	17	tzvp	tzvp	NOUN
eurjchem-972	114	18	basis	basis	NOUN
eurjchem-972	114	19	set	set	NOUN
eurjchem-972	114	20	and	and	CCONJ
eurjchem-972	114	21	different	different	ADJ
eurjchem-972	114	22	functionals	functional	NOUN
eurjchem-972	114	23	.	.	PUNCT
eurjchem-972	115	1	rusanov	rusanov	NOUN
eurjchem-972	115	2	et	et	PROPN
eurjchem-972	115	3	al	al	PROPN
eurjchem-972	115	4	.	.	PUNCT
eurjchem-972	115	5	/	/	SYM
eurjchem-972	115	6	european	european	PROPN
eurjchem-972	115	7	journal	journal	PROPN
eurjchem-972	115	8	of	of	ADP
eurjchem-972	115	9	chemistry	chemistry	NOUN
eurjchem-972	115	10	5	5	NUM
eurjchem-972	115	11	(	(	PUNCT
eurjchem-972	115	12	1	1	NUM
eurjchem-972	115	13	)	)	PUNCT
eurjchem-972	115	14	(	(	PUNCT
eurjchem-972	115	15	2014	2014	NUM
eurjchem-972	115	16	)	)	PUNCT
eurjchem-972	116	1	176‐180	176‐180	NUM
eurjchem-972	116	2	179	179	NUM
eurjchem-972	116	3	table	table	NOUN
eurjchem-972	116	4	2	2	NUM
eurjchem-972	116	5	.	.	PUNCT
eurjchem-972	116	6	calculated	calculate	VERB
eurjchem-972	116	7	mössbauer	mössbauer	PROPN
eurjchem-972	116	8	parameters	parameter	NOUN
eurjchem-972	116	9	:	:	PUNCT
eurjchem-972	116	10	isomer	isomer	PROPN
eurjchem-972	116	11	shift	shift	NOUN
eurjchem-972	116	12	(	(	PUNCT
eurjchem-972	116	13	is	be	AUX
eurjchem-972	116	14	)	)	PUNCT
eurjchem-972	116	15	and	and	CCONJ
eurjchem-972	116	16	quadrupole	quadrupole	NOUN
eurjchem-972	116	17	splitting	splitting	NOUN
eurjchem-972	116	18	(	(	PUNCT
eurjchem-972	116	19	qs	qs	NOUN
eurjchem-972	116	20	)	)	PUNCT
eurjchem-972	116	21	for	for	ADP
eurjchem-972	116	22	optimized	optimize	VERB
eurjchem-972	116	23	and	and	CCONJ
eurjchem-972	116	24	non‐optimized	non‐optimize	VERB
eurjchem-972	116	25	,	,	PUNCT
eurjchem-972	116	26	denoted	denote	VERB
eurjchem-972	116	27	with	with	ADP
eurjchem-972	116	28	(	(	PUNCT
eurjchem-972	116	29	*	*	NOUN
eurjchem-972	116	30	)	)	PUNCT
eurjchem-972	116	31	,	,	PUNCT
eurjchem-972	116	32	model	model	NOUN
eurjchem-972	116	33	structures	structure	NOUN
eurjchem-972	116	34	of	of	ADP
eurjchem-972	116	35	fe(ii	fe(ii	PROPN
eurjchem-972	116	36	)	)	PUNCT
eurjchem-972	116	37	complexes	complex	NOUN
eurjchem-972	116	38	of	of	ADP
eurjchem-972	116	39	2aid	2aid	NUM
eurjchem-972	116	40	using	use	VERB
eurjchem-972	116	41	pw91‐tzp‐cosmo	pw91‐tzp‐cosmo	NUM
eurjchem-972	116	42	(	(	PUNCT
eurjchem-972	116	43	methanol	methanol	NOUN
eurjchem-972	116	44	)	)	PUNCT
eurjchem-972	116	45	quantum‐chemical	quantum‐chemical	ADJ
eurjchem-972	116	46	method	method	NOUN
eurjchem-972	116	47	.	.	PUNCT
eurjchem-972	117	1	model	model	NOUN
eurjchem-972	117	2	structure	structure	NOUN
eurjchem-972	117	3	total	total	NOUN
eurjchem-972	117	4	spin	spin	NOUN
eurjchem-972	117	5	s	s	PART
eurjchem-972	117	6	structure	structure	NOUN
eurjchem-972	117	7	details	detail	NOUN
eurjchem-972	117	8	calculated	calculate	VERB
eurjchem-972	117	9	electron	electron	NOUN
eurjchem-972	117	10	density	density	NOUN
eurjchem-972	117	11	,	,	PUNCT
eurjchem-972	117	12	[	[	X
eurjchem-972	117	13	ρ(0	ρ(0	PROPN
eurjchem-972	117	14	)	)	PUNCT
eurjchem-972	117	15	]	]	PUNCT
eurjchem-972	117	16	calculated	calculate	VERB
eurjchem-972	117	17	is	be	AUX
eurjchem-972	117	18	calculated	calculate	VERB
eurjchem-972	117	19	qs	qs	ADP
eurjchem-972	117	20	fe2_oh_hs	fe2_oh_hs	ADJ
eurjchem-972	117	21	2	2	NUM
eurjchem-972	118	1	oh	oh	NUM
eurjchem-972	118	2	11882.75295	11882.75295	NUM
eurjchem-972	118	3	1.240	1.240	NUM
eurjchem-972	118	4	2.314	2.314	NUM
eurjchem-972	118	5	fe2_oh_ls	fe2_oh_ls	NUM
eurjchem-972	118	6	0	0	NUM
eurjchem-972	119	1	oh	oh	NUM
eurjchem-972	119	2	11883.34668	11883.34668	NUM
eurjchem-972	119	3	0.999	0.999	NUM
eurjchem-972	119	4	2.043	2.043	NUM
eurjchem-972	119	5	fe2_td_hs	fe2_td_hs	NOUN
eurjchem-972	119	6	2	2	NUM
eurjchem-972	119	7	td	td	NOUN
eurjchem-972	119	8	11882.84386	11882.84386	NUM
eurjchem-972	119	9	0.889	0.889	NUM
eurjchem-972	119	10	1.549	1.549	NUM
eurjchem-972	119	11	fe2_h2o_204	fe2_h2o_204	PROPN
eurjchem-972	119	12	2	2	NUM
eurjchem-972	119	13	*	*	NOUN
eurjchem-972	119	14	oh	oh	INTJ
eurjchem-972	119	15	(	(	PUNCT
eurjchem-972	119	16	fe‐oh2	fe‐oh2	NOUN
eurjchem-972	119	17	:	:	PUNCT
eurjchem-972	119	18	2.04	2.04	NUM
eurjchem-972	119	19	å	å	NOUN
eurjchem-972	119	20	)	)	PUNCT
eurjchem-972	119	21	11882.9414	11882.9414	NUM
eurjchem-972	119	22	1.164	1.164	NUM
eurjchem-972	119	23	2.614	2.614	NUM
eurjchem-972	119	24	fe2_h2o_214	fe2_h2o_214	PROPN
eurjchem-972	119	25	2	2	NUM
eurjchem-972	119	26	*	*	PUNCT
eurjchem-972	119	27	oh(fe‐oh2	oh(fe‐oh2	NOUN
eurjchem-972	119	28	:	:	PUNCT
eurjchem-972	119	29	2.14	2.14	NUM
eurjchem-972	119	30	å	å	NOUN
eurjchem-972	119	31	)	)	PUNCT
eurjchem-972	119	32	11882.8212	11882.8212	NUM
eurjchem-972	119	33	1.212	1.212	NUM
eurjchem-972	119	34	2.395	2.395	NUM
eurjchem-972	119	35	fe2_h2o_224	fe2_h2o_224	PROPN
eurjchem-972	119	36	2	2	NUM
eurjchem-972	119	37	oh(fe‐oh2	oh(fe‐oh2	NOUN
eurjchem-972	119	38	:	:	PUNCT
eurjchem-972	119	39	2.24	2.24	NUM
eurjchem-972	119	40	å	å	NOUN
eurjchem-972	119	41	)	)	PUNCT
eurjchem-972	119	42	11882.75295	11882.75295	NUM
eurjchem-972	119	43	1.240	1.240	NUM
eurjchem-972	119	44	2.314	2.314	NUM
eurjchem-972	119	45	fe2_h2o_234	fe2_h2o_234	ADJ
eurjchem-972	119	46	2	2	NUM
eurjchem-972	119	47	*	*	PUNCT
eurjchem-972	119	48	oh(fe‐oh2	oh(fe‐oh2	NOUN
eurjchem-972	119	49	:	:	PUNCT
eurjchem-972	119	50	2.34	2.34	NUM
eurjchem-972	119	51	å	å	NOUN
eurjchem-972	119	52	)	)	PUNCT
eurjchem-972	119	53	11882.71053	11882.71053	NUM
eurjchem-972	119	54	1.257	1.257	NUM
eurjchem-972	119	55	2.310	2.310	NUM
eurjchem-972	119	56	fe2_h2o_244	fe2_h2o_244	PROPN
eurjchem-972	119	57	2	2	NUM
eurjchem-972	119	58	*	*	PUNCT
eurjchem-972	119	59	oh(fe‐oh2	oh(fe‐oh2	NOUN
eurjchem-972	119	60	:	:	PUNCT
eurjchem-972	119	61	2.44	2.44	NUM
eurjchem-972	119	62	å	å	NOUN
eurjchem-972	119	63	)	)	PUNCT
eurjchem-972	119	64	11882.69023	11882.69023	NUM
eurjchem-972	119	65	1.265	1.265	NUM
eurjchem-972	119	66	2.348	2.348	NUM
eurjchem-972	119	67	fe2_nh3_oh_hs	fe2_nh3_oh_hs	NOUN
eurjchem-972	119	68	2	2	NUM
eurjchem-972	119	69	oh	oh	NOUN
eurjchem-972	119	70	11882.81392	11882.81392	NUM
eurjchem-972	119	71	1.215	1.215	NUM
eurjchem-972	119	72	2.361	2.361	NUM
eurjchem-972	119	73	fe2_nh3_oh_ls	fe2_nh3_oh_ls	NOUN
eurjchem-972	119	74	0	0	NUM
eurjchem-972	120	1	oh	oh	INTJ
eurjchem-972	120	2	11883.49270	11883.49270	NUM
eurjchem-972	120	3	0.940	0.940	NUM
eurjchem-972	120	4	1.119	1.119	NUM
eurjchem-972	120	5	octahedral	octahedral	ADJ
eurjchem-972	120	6	model	model	NOUN
eurjchem-972	120	7	tetrahedral	tetrahedral	PROPN
eurjchem-972	120	8	model	model	PROPN
eurjchem-972	120	9	figure	figure	NOUN
eurjchem-972	120	10	2	2	NUM
eurjchem-972	120	11	.	.	PUNCT
eurjchem-972	120	12	optimized	optimize	VERB
eurjchem-972	120	13	structures	structure	NOUN
eurjchem-972	120	14	(	(	PUNCT
eurjchem-972	120	15	pw91‐dzp	pw91‐dzp	NOUN
eurjchem-972	120	16	)	)	PUNCT
eurjchem-972	120	17	for	for	ADP
eurjchem-972	120	18	high‐spin	high‐spin	PROPN
eurjchem-972	120	19	(	(	PUNCT
eurjchem-972	120	20	s	s	NOUN
eurjchem-972	120	21	=	=	SYM
eurjchem-972	120	22	2	2	NUM
eurjchem-972	120	23	)	)	PUNCT
eurjchem-972	120	24	fe(ii	fe(ii	PROPN
eurjchem-972	120	25	)	)	PUNCT
eurjchem-972	120	26	complex	complex	NOUN
eurjchem-972	120	27	of	of	ADP
eurjchem-972	120	28	2aid	2aid	NUM
eurjchem-972	120	29	,	,	PUNCT
eurjchem-972	120	30	suggesting	suggest	VERB
eurjchem-972	120	31	octahedral	octahedral	ADJ
eurjchem-972	120	32	and	and	CCONJ
eurjchem-972	120	33	tetrahedral	tetrahedral	ADJ
eurjchem-972	120	34	environment	environment	NOUN
eurjchem-972	120	35	.	.	PUNCT
eurjchem-972	121	1	selected	select	VERB
eurjchem-972	121	2	bond	bond	NOUN
eurjchem-972	121	3	lengths	length	NOUN
eurjchem-972	121	4	(	(	PUNCT
eurjchem-972	121	5	fe‐o	fe‐o	NOUN
eurjchem-972	121	6	)	)	PUNCT
eurjchem-972	121	7	are	be	AUX
eurjchem-972	121	8	given	give	VERB
eurjchem-972	121	9	as	as	ADV
eurjchem-972	121	10	well	well	ADV
eurjchem-972	121	11	.	.	PUNCT
eurjchem-972	122	1	general	general	ADJ
eurjchem-972	122	2	observation	observation	NOUN
eurjchem-972	122	3	in	in	ADP
eurjchem-972	122	4	our	our	PRON
eurjchem-972	122	5	case	case	NOUN
eurjchem-972	122	6	is	be	AUX
eurjchem-972	122	7	that	that	SCONJ
eurjchem-972	122	8	the	the	DET
eurjchem-972	122	9	opbe	opbe	PROPN
eurjchem-972	122	10	optimization	optimization	NOUN
eurjchem-972	122	11	leads	lead	VERB
eurjchem-972	122	12	to	to	PART
eurjchem-972	122	13	unacceptably	unacceptably	ADV
eurjchem-972	122	14	long	long	ADV
eurjchem-972	122	15	fe‐o	fe‐o	VERB
eurjchem-972	122	16	bond	bond	NOUN
eurjchem-972	122	17	lengths	length	NOUN
eurjchem-972	122	18	.	.	PUNCT
eurjchem-972	123	1	therefore	therefore	ADV
eurjchem-972	123	2	,	,	PUNCT
eurjchem-972	123	3	we	we	PRON
eurjchem-972	123	4	focus	focus	VERB
eurjchem-972	123	5	our	our	PRON
eurjchem-972	123	6	discussion	discussion	NOUN
eurjchem-972	123	7	on	on	ADP
eurjchem-972	123	8	the	the	DET
eurjchem-972	123	9	geometries	geometry	NOUN
eurjchem-972	123	10	and	and	CCONJ
eurjchem-972	123	11	mössbauer	mössbauer	NOUN
eurjchem-972	123	12	parameters	parameter	NOUN
eurjchem-972	123	13	as	as	SCONJ
eurjchem-972	123	14	obtained	obtain	VERB
eurjchem-972	123	15	from	from	ADP
eurjchem-972	123	16	pw91	pw91	PROPN
eurjchem-972	123	17	calculations	calculation	NOUN
eurjchem-972	123	18	in	in	ADP
eurjchem-972	123	19	solvent	solvent	ADJ
eurjchem-972	123	20	media	medium	NOUN
eurjchem-972	123	21	‐	‐	NOUN
eurjchem-972	123	22	methanol	methanol	NOUN
eurjchem-972	123	23	.	.	PUNCT
eurjchem-972	124	1	all	all	DET
eurjchem-972	124	2	possible	possible	ADJ
eurjchem-972	124	3	models	model	NOUN
eurjchem-972	124	4	for	for	ADP
eurjchem-972	124	5	six‐	six‐	PROPN
eurjchem-972	124	6	and	and	CCONJ
eurjchem-972	124	7	four‐	four‐	NOUN
eurjchem-972	124	8	coordinated	coordinate	VERB
eurjchem-972	124	9	fe(ii	fe(ii	PROPN
eurjchem-972	124	10	)	)	PUNCT
eurjchem-972	124	11	were	be	AUX
eurjchem-972	124	12	optimized	optimize	VERB
eurjchem-972	124	13	.	.	PUNCT
eurjchem-972	125	1	reasonable	reasonable	ADJ
eurjchem-972	125	2	geometries	geometry	NOUN
eurjchem-972	125	3	were	be	AUX
eurjchem-972	125	4	obtained	obtain	VERB
eurjchem-972	125	5	for	for	ADP
eurjchem-972	125	6	octahedral	octahedral	ADJ
eurjchem-972	125	7	and	and	CCONJ
eurjchem-972	125	8	tetrahedral	tetrahedral	ADJ
eurjchem-972	125	9	structures	structure	NOUN
eurjchem-972	125	10	,	,	PUNCT
eurjchem-972	125	11	and	and	CCONJ
eurjchem-972	125	12	are	be	AUX
eurjchem-972	125	13	depicted	depict	VERB
eurjchem-972	125	14	in	in	ADP
eurjchem-972	125	15	figure	figure	NOUN
eurjchem-972	125	16	2	2	NUM
eurjchem-972	125	17	.	.	PUNCT
eurjchem-972	126	1	furthermore	furthermore	ADV
eurjchem-972	126	2	,	,	PUNCT
eurjchem-972	126	3	the	the	DET
eurjchem-972	126	4	fe‐o	fe‐o	ADJ
eurjchem-972	126	5	bond	bond	NOUN
eurjchem-972	126	6	lengths	length	NOUN
eurjchem-972	126	7	with	with	ADP
eurjchem-972	126	8	the	the	DET
eurjchem-972	126	9	axial	axial	ADJ
eurjchem-972	126	10	water	water	NOUN
eurjchem-972	126	11	molecules	molecule	NOUN
eurjchem-972	126	12	were	be	AUX
eurjchem-972	126	13	manually	manually	ADV
eurjchem-972	126	14	changed	change	VERB
eurjchem-972	126	15	,	,	PUNCT
eurjchem-972	126	16	without	without	ADP
eurjchem-972	126	17	optimization	optimization	NOUN
eurjchem-972	126	18	,	,	PUNCT
eurjchem-972	126	19	in	in	ADP
eurjchem-972	126	20	order	order	NOUN
eurjchem-972	126	21	to	to	PART
eurjchem-972	126	22	monitor	monitor	VERB
eurjchem-972	126	23	the	the	DET
eurjchem-972	126	24	effect	effect	NOUN
eurjchem-972	126	25	of	of	ADP
eurjchem-972	126	26	this	this	DET
eurjchem-972	126	27	structural	structural	ADJ
eurjchem-972	126	28	parameter	parameter	NOUN
eurjchem-972	126	29	on	on	ADP
eurjchem-972	126	30	the	the	DET
eurjchem-972	126	31	calculated	calculate	VERB
eurjchem-972	126	32	is	be	AUX
eurjchem-972	126	33	and	and	CCONJ
eurjchem-972	126	34	qs	q	VERB
eurjchem-972	126	35	.	.	PUNCT
eurjchem-972	127	1	the	the	DET
eurjchem-972	127	2	results	result	NOUN
eurjchem-972	127	3	from	from	ADP
eurjchem-972	127	4	the	the	DET
eurjchem-972	127	5	calculations	calculation	NOUN
eurjchem-972	127	6	are	be	AUX
eurjchem-972	127	7	listed	list	VERB
eurjchem-972	127	8	in	in	ADP
eurjchem-972	127	9	table	table	NOUN
eurjchem-972	127	10	2	2	NUM
eurjchem-972	127	11	.	.	PUNCT
eurjchem-972	128	1	basically	basically	ADV
eurjchem-972	128	2	,	,	PUNCT
eurjchem-972	128	3	it	it	PRON
eurjchem-972	128	4	was	be	AUX
eurjchem-972	128	5	seen	see	VERB
eurjchem-972	128	6	that	that	SCONJ
eurjchem-972	128	7	the	the	PRON
eurjchem-972	128	8	is	be	AUX
eurjchem-972	128	9	and	and	CCONJ
eurjchem-972	128	10	qs	qs	VERB
eurjchem-972	128	11	are	be	AUX
eurjchem-972	128	12	sensitive	sensitive	ADJ
eurjchem-972	128	13	to	to	ADP
eurjchem-972	128	14	the	the	DET
eurjchem-972	128	15	spin	spin	NOUN
eurjchem-972	128	16	state	state	NOUN
eurjchem-972	128	17	and	and	CCONJ
eurjchem-972	128	18	the	the	DET
eurjchem-972	128	19	fe‐o	fe‐o	ADJ
eurjchem-972	128	20	bond	bond	NOUN
eurjchem-972	128	21	lengths	length	NOUN
eurjchem-972	128	22	of	of	ADP
eurjchem-972	128	23	the	the	DET
eurjchem-972	128	24	octahedral	octahedral	ADJ
eurjchem-972	128	25	ferrous	ferrous	ADJ
eurjchem-972	128	26	center	center	NOUN
eurjchem-972	128	27	,	,	PUNCT
eurjchem-972	128	28	but	but	CCONJ
eurjchem-972	128	29	not	not	PART
eurjchem-972	128	30	to	to	ADP
eurjchem-972	128	31	the	the	DET
eurjchem-972	128	32	extent	extent	NOUN
eurjchem-972	128	33	that	that	PRON
eurjchem-972	128	34	is	be	AUX
eurjchem-972	128	35	seen	see	VERB
eurjchem-972	128	36	in	in	ADP
eurjchem-972	128	37	the	the	DET
eurjchem-972	128	38	experimental	experimental	ADJ
eurjchem-972	128	39	data	datum	NOUN
eurjchem-972	128	40	.	.	PUNCT
eurjchem-972	129	1	the	the	DET
eurjchem-972	129	2	mössbauer	mössbauer	PROPN
eurjchem-972	129	3	parameters	parameter	NOUN
eurjchem-972	129	4	calculated	calculate	VERB
eurjchem-972	129	5	for	for	ADP
eurjchem-972	129	6	the	the	DET
eurjchem-972	129	7	octahedral	octahedral	ADJ
eurjchem-972	129	8	models	model	NOUN
eurjchem-972	129	9	,	,	PUNCT
eurjchem-972	129	10	optimized	optimize	VERB
eurjchem-972	129	11	for	for	ADP
eurjchem-972	129	12	high	high	ADJ
eurjchem-972	129	13	spin	spin	NOUN
eurjchem-972	129	14	(	(	PUNCT
eurjchem-972	129	15	s	s	NOUN
eurjchem-972	129	16	=	=	SYM
eurjchem-972	129	17	2	2	NUM
eurjchem-972	129	18	)	)	PUNCT
eurjchem-972	129	19	and	and	CCONJ
eurjchem-972	129	20	low	low	ADJ
eurjchem-972	129	21	spin	spin	NOUN
eurjchem-972	129	22	(	(	PUNCT
eurjchem-972	129	23	s	s	NOUN
eurjchem-972	129	24	=	=	NOUN
eurjchem-972	129	25	0	0	NUM
eurjchem-972	129	26	)	)	PUNCT
eurjchem-972	129	27	states	state	NOUN
eurjchem-972	129	28	of	of	ADP
eurjchem-972	129	29	the	the	DET
eurjchem-972	129	30	fe	fe	NOUN
eurjchem-972	129	31	,	,	PUNCT
eurjchem-972	129	32	reveal	reveal	VERB
eurjchem-972	129	33	that	that	SCONJ
eurjchem-972	129	34	the	the	DET
eurjchem-972	129	35	changes	change	NOUN
eurjchem-972	129	36	in	in	ADP
eurjchem-972	129	37	the	the	DET
eurjchem-972	129	38	calculated	calculate	VERB
eurjchem-972	129	39	is	be	AUX
eurjchem-972	129	40	and	and	CCONJ
eurjchem-972	129	41	qs	qs	VERB
eurjchem-972	129	42	are	be	AUX
eurjchem-972	129	43	too	too	ADV
eurjchem-972	129	44	small	small	ADJ
eurjchem-972	129	45	(	(	PUNCT
eurjchem-972	129	46	ca	ca	NOUN
eurjchem-972	129	47	.	.	NOUN
eurjchem-972	130	1	0.24	0.24	NUM
eurjchem-972	130	2	mm	mm	PROPN
eurjchem-972	130	3	/	/	SYM
eurjchem-972	130	4	s	s	PROPN
eurjchem-972	130	5	)	)	PUNCT
eurjchem-972	130	6	as	as	SCONJ
eurjchem-972	130	7	compared	compare	VERB
eurjchem-972	130	8	to	to	ADP
eurjchem-972	130	9	the	the	DET
eurjchem-972	130	10	experimentally	experimentally	ADV
eurjchem-972	130	11	observed	observe	VERB
eurjchem-972	130	12	ones	one	NOUN
eurjchem-972	130	13	(	(	PUNCT
eurjchem-972	130	14	0.5	0.5	NUM
eurjchem-972	130	15	and	and	CCONJ
eurjchem-972	130	16	1.65	1.65	NUM
eurjchem-972	130	17	mm	mm	NOUN
eurjchem-972	130	18	/	/	SYM
eurjchem-972	130	19	s	s	PROPN
eurjchem-972	130	20	for	for	ADP
eurjchem-972	130	21	the	the	PRON
eurjchem-972	130	22	is	is	NOUN
eurjchem-972	130	23	and	and	CCONJ
eurjchem-972	130	24	qs	qs	VERB
eurjchem-972	130	25	,	,	PUNCT
eurjchem-972	130	26	respectively	respectively	ADV
eurjchem-972	130	27	)	)	PUNCT
eurjchem-972	130	28	.	.	PUNCT
eurjchem-972	131	1	these	these	DET
eurjchem-972	131	2	data	datum	NOUN
eurjchem-972	131	3	suggested	suggest	VERB
eurjchem-972	131	4	that	that	SCONJ
eurjchem-972	131	5	most	most	ADV
eurjchem-972	131	6	probably	probably	ADV
eurjchem-972	131	7	the	the	DET
eurjchem-972	131	8	observed	observed	ADJ
eurjchem-972	131	9	decrease	decrease	NOUN
eurjchem-972	131	10	in	in	ADP
eurjchem-972	131	11	the	the	DET
eurjchem-972	131	12	mössbauer	mössbauer	NOUN
eurjchem-972	131	13	parameters	parameter	NOUN
eurjchem-972	131	14	with	with	ADP
eurjchem-972	131	15	the	the	DET
eurjchem-972	131	16	temperature	temperature	NOUN
eurjchem-972	131	17	lowering	lower	VERB
eurjchem-972	131	18	is	be	AUX
eurjchem-972	131	19	not	not	PART
eurjchem-972	131	20	caused	cause	VERB
eurjchem-972	131	21	by	by	ADP
eurjchem-972	131	22	change	change	NOUN
eurjchem-972	131	23	in	in	ADP
eurjchem-972	131	24	the	the	DET
eurjchem-972	131	25	spin	spin	NOUN
eurjchem-972	131	26	state	state	NOUN
eurjchem-972	131	27	of	of	ADP
eurjchem-972	131	28	the	the	DET
eurjchem-972	131	29	studied	study	VERB
eurjchem-972	131	30	fe(ii	fe(ii	PROPN
eurjchem-972	131	31	)	)	PUNCT
eurjchem-972	131	32	complex	complex	NOUN
eurjchem-972	131	33	.	.	PUNCT
eurjchem-972	132	1	therefore	therefore	ADV
eurjchem-972	132	2	,	,	PUNCT
eurjchem-972	132	3	we	we	PRON
eurjchem-972	132	4	focused	focus	VERB
eurjchem-972	132	5	on	on	ADP
eurjchem-972	132	6	selected	select	VERB
eurjchem-972	132	7	structural	structural	ADJ
eurjchem-972	132	8	parameters	parameter	NOUN
eurjchem-972	132	9	as	as	ADP
eurjchem-972	132	10	potential	potential	ADJ
eurjchem-972	132	11	origin	origin	NOUN
eurjchem-972	132	12	of	of	ADP
eurjchem-972	132	13	the	the	DET
eurjchem-972	132	14	detected	detect	VERB
eurjchem-972	132	15	new	new	ADJ
eurjchem-972	132	16	component	component	NOUN
eurjchem-972	132	17	in	in	ADP
eurjchem-972	132	18	the	the	DET
eurjchem-972	132	19	spectrum	spectrum	NOUN
eurjchem-972	132	20	,	,	PUNCT
eurjchem-972	132	21	all	all	DET
eurjchem-972	132	22	the	the	PRON
eurjchem-972	132	23	more	more	ADJ
eurjchem-972	132	24	that	that	SCONJ
eurjchem-972	132	25	in	in	ADP
eurjchem-972	132	26	the	the	DET
eurjchem-972	132	27	used	used	ADJ
eurjchem-972	132	28	model	model	NOUN
eurjchem-972	132	29	of	of	ADP
eurjchem-972	132	30	octahedral	octahedral	ADJ
eurjchem-972	132	31	coordination	coordination	NOUN
eurjchem-972	132	32	the	the	DET
eurjchem-972	132	33	water	water	NOUN
eurjchem-972	132	34	molecules	molecule	NOUN
eurjchem-972	132	35	are	be	AUX
eurjchem-972	132	36	added	add	VERB
eurjchem-972	132	37	only	only	ADV
eurjchem-972	132	38	to	to	PART
eurjchem-972	132	39	approximate	approximate	VERB
eurjchem-972	132	40	an	an	DET
eurjchem-972	132	41	eventual	eventual	ADJ
eurjchem-972	132	42	coordination	coordination	NOUN
eurjchem-972	132	43	with	with	ADP
eurjchem-972	132	44	a	a	DET
eurjchem-972	132	45	free	free	ADJ
eurjchem-972	132	46	carbonyl	carbonyl	NOUN
eurjchem-972	132	47	group	group	NOUN
eurjchem-972	132	48	from	from	ADP
eurjchem-972	132	49	a	a	DET
eurjchem-972	132	50	proximal	proximal	ADJ
eurjchem-972	132	51	complex	complex	ADJ
eurjchem-972	132	52	molecule	molecule	NOUN
eurjchem-972	132	53	.	.	PUNCT
eurjchem-972	133	1	the	the	DET
eurjchem-972	133	2	fe‐	fe‐	ADJ
eurjchem-972	133	3	o(w	o(w	ADJ
eurjchem-972	133	4	)	)	PUNCT
eurjchem-972	133	5	bond	bond	NOUN
eurjchem-972	133	6	lengths	length	NOUN
eurjchem-972	133	7	with	with	ADP
eurjchem-972	133	8	the	the	DET
eurjchem-972	133	9	coordinated	coordinate	VERB
eurjchem-972	133	10	water	water	NOUN
eurjchem-972	133	11	molecules	molecule	NOUN
eurjchem-972	133	12	in	in	ADP
eurjchem-972	133	13	the	the	DET
eurjchem-972	133	14	optimized	optimize	VERB
eurjchem-972	133	15	,	,	PUNCT
eurjchem-972	133	16	high‐spin	high‐spin	ADJ
eurjchem-972	133	17	state	state	NOUN
eurjchem-972	133	18	(	(	PUNCT
eurjchem-972	133	19	s	s	NOUN
eurjchem-972	133	20	=	=	SYM
eurjchem-972	133	21	2	2	NUM
eurjchem-972	133	22	)	)	PUNCT
eurjchem-972	133	23	,	,	PUNCT
eurjchem-972	133	24	octahedral	octahedral	ADJ
eurjchem-972	133	25	fe	fe	X
eurjchem-972	133	26	are	be	AUX
eurjchem-972	133	27	equal	equal	ADJ
eurjchem-972	133	28	to	to	ADP
eurjchem-972	133	29	2.232	2.232	NUM
eurjchem-972	133	30	and	and	CCONJ
eurjchem-972	133	31	2.241	2.241	NUM
eurjchem-972	133	32	å	å	PROPN
eurjchem-972	133	33	(	(	PUNCT
eurjchem-972	133	34	see	see	VERB
eurjchem-972	133	35	figure	figure	NOUN
eurjchem-972	133	36	2	2	NUM
eurjchem-972	133	37	)	)	PUNCT
eurjchem-972	133	38	.	.	PUNCT
eurjchem-972	134	1	the	the	DET
eurjchem-972	134	2	calculated	calculate	VERB
eurjchem-972	134	3	is	be	AUX
eurjchem-972	134	4	and	and	CCONJ
eurjchem-972	134	5	qs	qs	VERB
eurjchem-972	134	6	for	for	ADP
eurjchem-972	134	7	this	this	DET
eurjchem-972	134	8	geometry	geometry	NOUN
eurjchem-972	134	9	deviate	deviate	NOUN
eurjchem-972	134	10	from	from	ADP
eurjchem-972	134	11	the	the	DET
eurjchem-972	134	12	experimentally	experimentally	ADV
eurjchem-972	134	13	observed	observe	VERB
eurjchem-972	134	14	ones	one	NOUN
eurjchem-972	134	15	(	(	PUNCT
eurjchem-972	134	16	see	see	VERB
eurjchem-972	134	17	tables	table	NOUN
eurjchem-972	134	18	1	1	NUM
eurjchem-972	134	19	and	and	CCONJ
eurjchem-972	134	20	2	2	NUM
eurjchem-972	134	21	)	)	PUNCT
eurjchem-972	134	22	.	.	PUNCT
eurjchem-972	135	1	by	by	ADP
eurjchem-972	135	2	changing	change	VERB
eurjchem-972	135	3	these	these	DET
eurjchem-972	135	4	fe‐o(w	fe‐o(w	NOUN
eurjchem-972	135	5	)	)	PUNCT
eurjchem-972	135	6	bond	bond	NOUN
eurjchem-972	135	7	lengths	length	NOUN
eurjchem-972	135	8	,	,	PUNCT
eurjchem-972	135	9	from	from	ADP
eurjchem-972	135	10	2.04	2.04	NUM
eurjchem-972	135	11	to	to	ADP
eurjchem-972	135	12	2.44	2.44	NUM
eurjchem-972	135	13	å	å	NOUN
eurjchem-972	135	14	,	,	PUNCT
eurjchem-972	135	15	we	we	PRON
eurjchem-972	135	16	tried	try	VERB
eurjchem-972	135	17	to	to	PART
eurjchem-972	135	18	modulate	modulate	VERB
eurjchem-972	135	19	the	the	DET
eurjchem-972	135	20	expected	expect	VERB
eurjchem-972	135	21	intermolecular	intermolecular	ADJ
eurjchem-972	135	22	interactions	interaction	NOUN
eurjchem-972	135	23	with	with	ADP
eurjchem-972	135	24	the	the	DET
eurjchem-972	135	25	neighbouring	neighbouring	ADJ
eurjchem-972	135	26	molecules	molecule	NOUN
eurjchem-972	135	27	.	.	PUNCT
eurjchem-972	136	1	the	the	DET
eurjchem-972	136	2	resulting	result	VERB
eurjchem-972	136	3	is	be	AUX
eurjchem-972	136	4	and	and	CCONJ
eurjchem-972	136	5	qs	qs	AUX
eurjchem-972	136	6	altered	alter	VERB
eurjchem-972	136	7	in	in	ADP
eurjchem-972	136	8	such	such	ADJ
eurjchem-972	136	9	way	way	NOUN
eurjchem-972	136	10	that	that	SCONJ
eurjchem-972	136	11	unambiguous	unambiguous	ADJ
eurjchem-972	136	12	definition	definition	NOUN
eurjchem-972	136	13	about	about	ADP
eurjchem-972	136	14	the	the	DET
eurjchem-972	136	15	exact	exact	ADJ
eurjchem-972	136	16	type	type	NOUN
eurjchem-972	136	17	of	of	ADP
eurjchem-972	136	18	the	the	DET
eurjchem-972	136	19	structural	structural	ADJ
eurjchem-972	136	20	changes	change	NOUN
eurjchem-972	136	21	,	,	PUNCT
eurjchem-972	136	22	responsible	responsible	ADJ
eurjchem-972	136	23	for	for	ADP
eurjchem-972	136	24	the	the	DET
eurjchem-972	136	25	observed	observe	VERB
eurjchem-972	136	26	changes	change	NOUN
eurjchem-972	136	27	in	in	ADP
eurjchem-972	136	28	the	the	DET
eurjchem-972	136	29	experimental	experimental	ADJ
eurjchem-972	136	30	mössbauer	mössbauer	PROPN
eurjchem-972	136	31	parameters	parameter	NOUN
eurjchem-972	136	32	,	,	PUNCT
eurjchem-972	136	33	was	be	AUX
eurjchem-972	136	34	hard	hard	ADJ
eurjchem-972	136	35	to	to	PART
eurjchem-972	136	36	be	be	AUX
eurjchem-972	136	37	given	give	VERB
eurjchem-972	136	38	.	.	PUNCT
eurjchem-972	137	1	generally	generally	ADV
eurjchem-972	137	2	,	,	PUNCT
eurjchem-972	137	3	elongation	elongation	NOUN
eurjchem-972	137	4	of	of	ADP
eurjchem-972	137	5	the	the	DET
eurjchem-972	137	6	fe‐o(w	fe‐o(w	NOUN
eurjchem-972	137	7	)	)	PUNCT
eurjchem-972	137	8	bonds	bond	NOUN
eurjchem-972	137	9	leads	lead	VERB
eurjchem-972	137	10	to	to	PART
eurjchem-972	137	11	increase	increase	VERB
eurjchem-972	137	12	in	in	ADP
eurjchem-972	137	13	the	the	DET
eurjchem-972	137	14	calculated	calculate	VERB
eurjchem-972	137	15	is	be	AUX
eurjchem-972	137	16	and	and	CCONJ
eurjchem-972	137	17	decrease	decrease	VERB
eurjchem-972	137	18	for	for	ADP
eurjchem-972	137	19	the	the	DET
eurjchem-972	137	20	qs	qs	NOUN
eurjchem-972	137	21	.	.	PROPN
eurjchem-972	137	22	at	at	ADP
eurjchem-972	137	23	fe‐o(w	fe‐o(w	NOUN
eurjchem-972	137	24	)	)	PUNCT
eurjchem-972	137	25	of	of	ADP
eurjchem-972	137	26	2.44	2.44	NUM
eurjchem-972	137	27	å	å	PROPN
eurjchem-972	137	28	the	the	DET
eurjchem-972	137	29	calculated	calculate	VERB
eurjchem-972	137	30	is	be	AUX
eurjchem-972	137	31	shift	shift	NOUN
eurjchem-972	137	32	(	(	PUNCT
eurjchem-972	137	33	1.265	1.265	NUM
eurjchem-972	137	34	mm	mm	NOUN
eurjchem-972	137	35	/	/	SYM
eurjchem-972	137	36	s	s	PROPN
eurjchem-972	137	37	)	)	PUNCT
eurjchem-972	137	38	is	be	AUX
eurjchem-972	137	39	almost	almost	ADV
eurjchem-972	137	40	equal	equal	ADJ
eurjchem-972	137	41	to	to	ADP
eurjchem-972	137	42	the	the	DET
eurjchem-972	137	43	one	one	NUM
eurjchem-972	137	44	observed	observe	VERB
eurjchem-972	137	45	for	for	ADP
eurjchem-972	137	46	the	the	DET
eurjchem-972	137	47	main	main	ADJ
eurjchem-972	137	48	component	component	NOUN
eurjchem-972	137	49	in	in	ADP
eurjchem-972	137	50	the	the	DET
eurjchem-972	137	51	mössbauer	mössbauer	NOUN
eurjchem-972	137	52	spectrum	spectrum	NOUN
eurjchem-972	137	53	,	,	PUNCT
eurjchem-972	137	54	1.26(1	1.26(1	NUM
eurjchem-972	137	55	)	)	PUNCT
eurjchem-972	137	56	mm	mm	PROPN
eurjchem-972	137	57	/	/	SYM
eurjchem-972	137	58	s.	s.	PROPN
eurjchem-972	137	59	however	however	ADV
eurjchem-972	137	60	,	,	PUNCT
eurjchem-972	137	61	anomalous	anomalous	ADJ
eurjchem-972	137	62	value	value	NOUN
eurjchem-972	137	63	for	for	ADP
eurjchem-972	137	64	the	the	DET
eurjchem-972	137	65	qs	qs	PROPN
eurjchem-972	137	66	was	be	AUX
eurjchem-972	137	67	obtained	obtain	VERB
eurjchem-972	137	68	in	in	ADP
eurjchem-972	137	69	this	this	DET
eurjchem-972	137	70	case	case	NOUN
eurjchem-972	137	71	.	.	PUNCT
eurjchem-972	138	1	on	on	ADP
eurjchem-972	138	2	the	the	DET
eurjchem-972	138	3	other	other	ADJ
eurjchem-972	138	4	hand	hand	NOUN
eurjchem-972	138	5	,	,	PUNCT
eurjchem-972	138	6	shortening	shorten	VERB
eurjchem-972	138	7	the	the	DET
eurjchem-972	138	8	fe‐	fe‐	ADJ
eurjchem-972	138	9	o(w	o(w	X
eurjchem-972	138	10	)	)	PUNCT
eurjchem-972	138	11	bonds	bond	NOUN
eurjchem-972	138	12	to	to	ADP
eurjchem-972	138	13	2.02	2.02	NUM
eurjchem-972	138	14	å	å	PROPN
eurjchem-972	138	15	results	result	NOUN
eurjchem-972	138	16	in	in	ADP
eurjchem-972	138	17	a	a	DET
eurjchem-972	138	18	calculated	calculate	VERB
eurjchem-972	138	19	value	value	NOUN
eurjchem-972	138	20	of	of	ADP
eurjchem-972	138	21	qs	qs	NOUN
eurjchem-972	138	22	of	of	ADP
eurjchem-972	138	23	2.614	2.614	NUM
eurjchem-972	138	24	mm	mm	NOUN
eurjchem-972	138	25	/	/	SYM
eurjchem-972	138	26	s	s	VERB
eurjchem-972	138	27	agreeing	agree	VERB
eurjchem-972	138	28	very	very	ADV
eurjchem-972	138	29	well	well	ADV
eurjchem-972	138	30	with	with	ADP
eurjchem-972	138	31	the	the	DET
eurjchem-972	138	32	experimental	experimental	ADJ
eurjchem-972	138	33	one	one	NUM
eurjchem-972	138	34	(	(	PUNCT
eurjchem-972	138	35	2.78(1	2.78(1	NOUN
eurjchem-972	138	36	)	)	PUNCT
eurjchem-972	138	37	m	m	PROPN
eurjchem-972	138	38	/	/	SYM
eurjchem-972	138	39	s	s	PART
eurjchem-972	138	40	)	)	PUNCT
eurjchem-972	138	41	.	.	PUNCT
eurjchem-972	139	1	although	although	SCONJ
eurjchem-972	139	2	giving	give	VERB
eurjchem-972	139	3	useful	useful	ADJ
eurjchem-972	139	4	information	information	NOUN
eurjchem-972	139	5	about	about	ADP
eurjchem-972	139	6	the	the	DET
eurjchem-972	139	7	general	general	ADJ
eurjchem-972	139	8	trends	trend	NOUN
eurjchem-972	139	9	,	,	PUNCT
eurjchem-972	139	10	it	it	PRON
eurjchem-972	139	11	seems	seem	VERB
eurjchem-972	139	12	that	that	SCONJ
eurjchem-972	139	13	the	the	DET
eurjchem-972	139	14	employed	employ	VERB
eurjchem-972	139	15	simple	simple	ADJ
eurjchem-972	139	16	change	change	NOUN
eurjchem-972	139	17	in	in	ADP
eurjchem-972	139	18	the	the	DET
eurjchem-972	139	19	fe‐	fe‐	ADJ
eurjchem-972	139	20	o(w	o(w	ADJ
eurjchem-972	139	21	)	)	PUNCT
eurjchem-972	139	22	bond	bond	NOUN
eurjchem-972	139	23	lengths	length	NOUN
eurjchem-972	139	24	is	be	AUX
eurjchem-972	139	25	not	not	PART
eurjchem-972	139	26	sufficient	sufficient	ADJ
eurjchem-972	139	27	to	to	PART
eurjchem-972	139	28	account	account	VERB
eurjchem-972	139	29	for	for	ADP
eurjchem-972	139	30	the	the	DET
eurjchem-972	139	31	other	other	ADJ
eurjchem-972	139	32	possible	possible	ADJ
eurjchem-972	139	33	structural	structural	ADJ
eurjchem-972	139	34	changes	change	NOUN
eurjchem-972	139	35	affecting	affect	VERB
eurjchem-972	139	36	the	the	DET
eurjchem-972	139	37	is	is	NOUN
eurjchem-972	139	38	and	and	CCONJ
eurjchem-972	139	39	qs	qs	ADP
eurjchem-972	139	40	.	.	NOUN
eurjchem-972	139	41	180	180	NUM
eurjchem-972	139	42	rusanov	rusanov	PROPN
eurjchem-972	139	43	et	et	PROPN
eurjchem-972	139	44	al	al	PROPN
eurjchem-972	139	45	.	.	PUNCT
eurjchem-972	139	46	/	/	SYM
eurjchem-972	139	47	european	european	PROPN
eurjchem-972	139	48	journal	journal	PROPN
eurjchem-972	139	49	of	of	ADP
eurjchem-972	139	50	chemistry	chemistry	NOUN
eurjchem-972	139	51	5	5	NUM
eurjchem-972	139	52	(	(	PUNCT
eurjchem-972	139	53	1	1	NUM
eurjchem-972	139	54	)	)	PUNCT
eurjchem-972	139	55	(	(	PUNCT
eurjchem-972	139	56	2014	2014	NUM
eurjchem-972	139	57	)	)	PUNCT
eurjchem-972	140	1	176‐180	176‐180	PROPN
eurjchem-972	140	2	full	full	ADJ
eurjchem-972	140	3	optimization	optimization	NOUN
eurjchem-972	140	4	(	(	PUNCT
eurjchem-972	140	5	with	with	ADP
eurjchem-972	140	6	pw91	pw91	PROPN
eurjchem-972	140	7	and	and	CCONJ
eurjchem-972	140	8	dzp	dzp	PROPN
eurjchem-972	140	9	basis	basis	NOUN
eurjchem-972	140	10	set	set	NOUN
eurjchem-972	140	11	)	)	PUNCT
eurjchem-972	140	12	of	of	ADP
eurjchem-972	140	13	four‐	four‐	NOUN
eurjchem-972	140	14	coordinated	coordinate	VERB
eurjchem-972	140	15	,	,	PUNCT
eurjchem-972	140	16	high‐spin	high‐spin	NOUN
eurjchem-972	140	17	fe(ii	fe(ii	PROPN
eurjchem-972	140	18	)	)	PUNCT
eurjchem-972	140	19	resulted	result	VERB
eurjchem-972	140	20	in	in	ADP
eurjchem-972	140	21	the	the	DET
eurjchem-972	140	22	tetrahedral	tetrahedral	ADJ
eurjchem-972	140	23	structure	structure	NOUN
eurjchem-972	140	24	depicted	depict	VERB
eurjchem-972	140	25	in	in	ADP
eurjchem-972	140	26	figure	figure	NOUN
eurjchem-972	140	27	2	2	NUM
eurjchem-972	140	28	.	.	PUNCT
eurjchem-972	141	1	as	as	SCONJ
eurjchem-972	141	2	could	could	AUX
eurjchem-972	141	3	be	be	AUX
eurjchem-972	141	4	seen	see	VERB
eurjchem-972	141	5	,	,	PUNCT
eurjchem-972	141	6	the	the	DET
eurjchem-972	141	7	fe‐o	fe‐o	PROPN
eurjchem-972	141	8	bonds	bond	NOUN
eurjchem-972	141	9	are	be	AUX
eurjchem-972	141	10	shorter	short	ADJ
eurjchem-972	141	11	than	than	ADP
eurjchem-972	141	12	that	that	PRON
eurjchem-972	141	13	in	in	ADP
eurjchem-972	141	14	the	the	DET
eurjchem-972	141	15	octahedral	octahedral	ADJ
eurjchem-972	141	16	model	model	NOUN
eurjchem-972	141	17	.	.	PUNCT
eurjchem-972	142	1	interestingly	interestingly	ADV
eurjchem-972	142	2	,	,	PUNCT
eurjchem-972	142	3	the	the	DET
eurjchem-972	142	4	calculated	calculate	VERB
eurjchem-972	142	5	is	be	AUX
eurjchem-972	142	6	and	and	CCONJ
eurjchem-972	142	7	qs	qs	VERB
eurjchem-972	142	8	are	be	AUX
eurjchem-972	142	9	much	much	ADV
eurjchem-972	142	10	closer	close	ADJ
eurjchem-972	142	11	to	to	ADP
eurjchem-972	142	12	the	the	DET
eurjchem-972	142	13	values	value	NOUN
eurjchem-972	142	14	obtained	obtain	VERB
eurjchem-972	142	15	for	for	ADP
eurjchem-972	142	16	the	the	DET
eurjchem-972	142	17	new	new	ADJ
eurjchem-972	142	18	component	component	NOUN
eurjchem-972	142	19	,	,	PUNCT
eurjchem-972	142	20	appearing	appear	VERB
eurjchem-972	142	21	in	in	ADP
eurjchem-972	142	22	the	the	DET
eurjchem-972	142	23	low‐temperature	low‐temperature	NOUN
eurjchem-972	142	24	mössbauer	mössbauer	NOUN
eurjchem-972	142	25	spectrum	spectrum	NOUN
eurjchem-972	142	26	,	,	PUNCT
eurjchem-972	142	27	if	if	SCONJ
eurjchem-972	142	28	compared	compare	VERB
eurjchem-972	142	29	to	to	ADP
eurjchem-972	142	30	the	the	DET
eurjchem-972	142	31	previously	previously	ADV
eurjchem-972	142	32	discussed	discuss	VERB
eurjchem-972	142	33	structural	structural	ADJ
eurjchem-972	142	34	or	or	CCONJ
eurjchem-972	142	35	spin‐state	spin‐state	ADJ
eurjchem-972	142	36	effects	effect	NOUN
eurjchem-972	142	37	.	.	PUNCT
eurjchem-972	143	1	although	although	SCONJ
eurjchem-972	143	2	not	not	PART
eurjchem-972	143	3	in	in	ADP
eurjchem-972	143	4	perfect	perfect	ADJ
eurjchem-972	143	5	agreement	agreement	NOUN
eurjchem-972	143	6	,	,	PUNCT
eurjchem-972	143	7	this	this	DET
eurjchem-972	143	8	quantum‐chemical	quantum‐chemical	ADJ
eurjchem-972	143	9	data	datum	NOUN
eurjchem-972	143	10	give	give	VERB
eurjchem-972	143	11	us	we	PRON
eurjchem-972	143	12	the	the	DET
eurjchem-972	143	13	right	right	NOUN
eurjchem-972	143	14	to	to	PART
eurjchem-972	143	15	assume	assume	VERB
eurjchem-972	143	16	that	that	SCONJ
eurjchem-972	143	17	weak	weak	ADJ
eurjchem-972	143	18	intermolecular	intermolecular	ADJ
eurjchem-972	143	19	interactions	interaction	NOUN
eurjchem-972	143	20	between	between	ADP
eurjchem-972	143	21	the	the	DET
eurjchem-972	143	22	complex	complex	ADJ
eurjchem-972	143	23	molecules	molecule	NOUN
eurjchem-972	143	24	of	of	ADP
eurjchem-972	143	25	fe(2aid)2	fe(2aid)2	PROPN
eurjchem-972	143	26	are	be	AUX
eurjchem-972	143	27	present	present	ADJ
eurjchem-972	143	28	in	in	ADP
eurjchem-972	143	29	the	the	DET
eurjchem-972	143	30	solid	solid	ADJ
eurjchem-972	143	31	state	state	NOUN
eurjchem-972	143	32	and	and	CCONJ
eurjchem-972	143	33	are	be	AUX
eurjchem-972	143	34	prone	prone	ADJ
eurjchem-972	143	35	to	to	ADP
eurjchem-972	143	36	changes	change	NOUN
eurjchem-972	143	37	by	by	ADP
eurjchem-972	143	38	decreasing	decrease	VERB
eurjchem-972	143	39	the	the	DET
eurjchem-972	143	40	temperature	temperature	NOUN
eurjchem-972	143	41	.	.	PUNCT
eurjchem-972	144	1	it	it	PRON
eurjchem-972	144	2	can	can	AUX
eurjchem-972	144	3	be	be	AUX
eurjchem-972	144	4	supposed	suppose	VERB
eurjchem-972	144	5	that	that	SCONJ
eurjchem-972	144	6	the	the	DET
eurjchem-972	144	7	non‐coordinated	non‐coordinated	ADJ
eurjchem-972	144	8	carbonyl	carbonyl	NOUN
eurjchem-972	144	9	groups	group	NOUN
eurjchem-972	144	10	from	from	ADP
eurjchem-972	144	11	each	each	DET
eurjchem-972	144	12	complex	complex	ADJ
eurjchem-972	144	13	molecule	molecule	NOUN
eurjchem-972	144	14	interact	interact	NOUN
eurjchem-972	144	15	with	with	ADP
eurjchem-972	144	16	the	the	DET
eurjchem-972	144	17	fe	fe	NOUN
eurjchem-972	144	18	centers	center	NOUN
eurjchem-972	144	19	in	in	ADP
eurjchem-972	144	20	their	their	PRON
eurjchem-972	144	21	close	close	ADJ
eurjchem-972	144	22	proximity	proximity	NOUN
eurjchem-972	144	23	leading	lead	VERB
eurjchem-972	144	24	to	to	ADP
eurjchem-972	144	25	pseudo‐octahedral	pseudo‐octahedral	ADJ
eurjchem-972	144	26	geometry	geometry	NOUN
eurjchem-972	144	27	.	.	PUNCT
eurjchem-972	145	1	these	these	PRON
eurjchem-972	145	2	are	be	AUX
eurjchem-972	145	3	additionally	additionally	ADV
eurjchem-972	145	4	facilitated	facilitate	VERB
eurjchem-972	145	5	by	by	ADP
eurjchem-972	145	6	the	the	DET
eurjchem-972	145	7	intermolecular	intermolecular	ADJ
eurjchem-972	145	8	aromatic	aromatic	ADJ
eurjchem-972	145	9	π‐	π‐	NOUN
eurjchem-972	145	10	stacking	stacking	NOUN
eurjchem-972	145	11	as	as	SCONJ
eurjchem-972	145	12	were	be	AUX
eurjchem-972	145	13	observed	observe	VERB
eurjchem-972	145	14	in	in	ADP
eurjchem-972	145	15	the	the	DET
eurjchem-972	145	16	fe(iii	fe(iii	NOUN
eurjchem-972	145	17	)	)	PUNCT
eurjchem-972	145	18	complex	complex	NOUN
eurjchem-972	145	19	of	of	ADP
eurjchem-972	145	20	2aid	2aid	PROPN
eurjchem-972	146	1	[	[	X
eurjchem-972	146	2	5	5	NUM
eurjchem-972	146	3	]	]	PUNCT
eurjchem-972	146	4	.	.	PUNCT
eurjchem-972	147	1	presumably	presumably	ADV
eurjchem-972	147	2	,	,	PUNCT
eurjchem-972	147	3	at	at	ADP
eurjchem-972	147	4	lower	low	ADJ
eurjchem-972	147	5	temperatures	temperature	NOUN
eurjchem-972	147	6	the	the	DET
eurjchem-972	147	7	fe‐o	fe‐o	ADJ
eurjchem-972	147	8	intermolecular	intermolecular	ADJ
eurjchem-972	147	9	interactions	interaction	NOUN
eurjchem-972	147	10	are	be	AUX
eurjchem-972	147	11	almost	almost	ADV
eurjchem-972	147	12	absent	absent	ADJ
eurjchem-972	147	13	but	but	CCONJ
eurjchem-972	147	14	the	the	DET
eurjchem-972	147	15	structure	structure	NOUN
eurjchem-972	147	16	deviates	deviate	VERB
eurjchem-972	147	17	from	from	ADP
eurjchem-972	147	18	the	the	DET
eurjchem-972	147	19	perfect	perfect	ADJ
eurjchem-972	147	20	tetrahedral	tetrahedral	ADJ
eurjchem-972	147	21	symmetry	symmetry	NOUN
eurjchem-972	147	22	due	due	ADP
eurjchem-972	147	23	to	to	ADP
eurjchem-972	147	24	the	the	DET
eurjchem-972	147	25	interactions	interaction	NOUN
eurjchem-972	147	26	between	between	ADP
eurjchem-972	147	27	the	the	DET
eurjchem-972	147	28	aromatic	aromatic	ADJ
eurjchem-972	147	29	parts	part	NOUN
eurjchem-972	147	30	of	of	ADP
eurjchem-972	147	31	the	the	DET
eurjchem-972	147	32	ligand	ligand	NOUN
eurjchem-972	147	33	.	.	PUNCT
eurjchem-972	148	1	thus	thus	ADV
eurjchem-972	148	2	flattened	flatten	VERB
eurjchem-972	148	3	tetrahedral	tetrahedral	ADJ
eurjchem-972	148	4	geometry	geometry	NOUN
eurjchem-972	148	5	is	be	AUX
eurjchem-972	148	6	partially	partially	ADV
eurjchem-972	148	7	formed	form	VERB
eurjchem-972	148	8	giving	give	VERB
eurjchem-972	148	9	rise	rise	NOUN
eurjchem-972	148	10	to	to	ADP
eurjchem-972	148	11	the	the	DET
eurjchem-972	148	12	observed	observe	VERB
eurjchem-972	148	13	new	new	ADJ
eurjchem-972	148	14	component	component	NOUN
eurjchem-972	148	15	in	in	ADP
eurjchem-972	148	16	the	the	DET
eurjchem-972	148	17	mössbauer	mössbauer	NOUN
eurjchem-972	148	18	spectrum	spectrum	NOUN
eurjchem-972	148	19	at	at	ADP
eurjchem-972	148	20	77	77	NUM
eurjchem-972	148	21	k.	k.	NOUN
eurjchem-972	149	1	the	the	DET
eurjchem-972	149	2	proposed	propose	VERB
eurjchem-972	149	3	explanation	explanation	NOUN
eurjchem-972	149	4	for	for	ADP
eurjchem-972	149	5	the	the	DET
eurjchem-972	149	6	observed	observe	VERB
eurjchem-972	149	7	temperature	temperature	NOUN
eurjchem-972	149	8	dependence	dependence	NOUN
eurjchem-972	149	9	of	of	ADP
eurjchem-972	149	10	the	the	DET
eurjchem-972	149	11	mössbauer	mössbauer	PROPN
eurjchem-972	149	12	spectra	spectra	PROPN
eurjchem-972	149	13	agree	agree	VERB
eurjchem-972	149	14	with	with	ADP
eurjchem-972	149	15	their	their	PRON
eurjchem-972	149	16	,	,	PUNCT
eurjchem-972	149	17	already	already	ADV
eurjchem-972	149	18	discussed	discuss	VERB
eurjchem-972	149	19	,	,	PUNCT
eurjchem-972	149	20	two	two	NUM
eurjchem-972	149	21	other	other	ADJ
eurjchem-972	149	22	features	feature	NOUN
eurjchem-972	149	23	:	:	PUNCT
eurjchem-972	149	24	the	the	DET
eurjchem-972	149	25	temperature	temperature	NOUN
eurjchem-972	149	26	effect	effect	NOUN
eurjchem-972	149	27	is	be	AUX
eurjchem-972	149	28	limited	limit	VERB
eurjchem-972	149	29	,	,	PUNCT
eurjchem-972	149	30	so	so	CCONJ
eurjchem-972	149	31	it	it	PRON
eurjchem-972	149	32	is	be	AUX
eurjchem-972	149	33	not	not	PART
eurjchem-972	149	34	resulting	result	VERB
eurjchem-972	149	35	from	from	ADP
eurjchem-972	149	36	purely	purely	ADV
eurjchem-972	149	37	energy	energy	NOUN
eurjchem-972	149	38	driven	drive	VERB
eurjchem-972	149	39	state‐	state‐	NOUN
eurjchem-972	149	40	transitions	transition	NOUN
eurjchem-972	149	41	but	but	CCONJ
eurjchem-972	149	42	has	have	VERB
eurjchem-972	149	43	steric	steric	ADJ
eurjchem-972	149	44	origin	origin	NOUN
eurjchem-972	149	45	;	;	PUNCT
eurjchem-972	149	46	and	and	CCONJ
eurjchem-972	149	47	the	the	DET
eurjchem-972	149	48	very	very	ADV
eurjchem-972	149	49	large	large	ADJ
eurjchem-972	149	50	increase	increase	NOUN
eurjchem-972	149	51	in	in	ADP
eurjchem-972	149	52	the	the	DET
eurjchem-972	149	53	mössbauer	mössbauer	NOUN
eurjchem-972	149	54	effect	effect	NOUN
eurjchem-972	149	55	that	that	PRON
eurjchem-972	149	56	could	could	AUX
eurjchem-972	149	57	be	be	AUX
eurjchem-972	149	58	attributed	attribute	VERB
eurjchem-972	149	59	to	to	ADP
eurjchem-972	149	60	the	the	DET
eurjchem-972	149	61	very	very	ADV
eurjchem-972	149	62	large	large	ADJ
eurjchem-972	149	63	structural	structural	ADJ
eurjchem-972	149	64	(	(	PUNCT
eurjchem-972	149	65	fe‐o	fe‐o	NOUN
eurjchem-972	149	66	)	)	PUNCT
eurjchem-972	149	67	deviations	deviation	NOUN
eurjchem-972	149	68	.	.	PUNCT
eurjchem-972	150	1	additionally	additionally	ADV
eurjchem-972	150	2	,	,	PUNCT
eurjchem-972	150	3	we	we	PRON
eurjchem-972	150	4	wanted	want	VERB
eurjchem-972	150	5	to	to	PART
eurjchem-972	150	6	prove	prove	VERB
eurjchem-972	150	7	that	that	SCONJ
eurjchem-972	150	8	a	a	DET
eurjchem-972	150	9	real	real	ADJ
eurjchem-972	150	10	spin‐crossover	spin‐crossover	NOUN
eurjchem-972	150	11	transition	transition	NOUN
eurjchem-972	150	12	would	would	AUX
eurjchem-972	150	13	result	result	VERB
eurjchem-972	150	14	in	in	ADP
eurjchem-972	150	15	a	a	DET
eurjchem-972	150	16	strong	strong	ADJ
eurjchem-972	150	17	decrease	decrease	NOUN
eurjchem-972	150	18	in	in	ADP
eurjchem-972	150	19	the	the	DET
eurjchem-972	150	20	calculated	calculated	ADJ
eurjchem-972	150	21	qs	qs	NOUN
eurjchem-972	150	22	as	as	ADP
eurjchem-972	150	23	indication	indication	NOUN
eurjchem-972	150	24	for	for	ADP
eurjchem-972	150	25	formation	formation	NOUN
eurjchem-972	150	26	of	of	ADP
eurjchem-972	150	27	a	a	DET
eurjchem-972	150	28	low‐spin	low‐spin	NOUN
eurjchem-972	150	29	state	state	NOUN
eurjchem-972	150	30	.	.	PUNCT
eurjchem-972	151	1	therefore	therefore	ADV
eurjchem-972	151	2	,	,	PUNCT
eurjchem-972	151	3	the	the	DET
eurjchem-972	151	4	axial	axial	ADJ
eurjchem-972	151	5	water	water	NOUN
eurjchem-972	151	6	ligands	ligand	NOUN
eurjchem-972	151	7	were	be	AUX
eurjchem-972	151	8	substituted	substitute	VERB
eurjchem-972	151	9	with	with	ADP
eurjchem-972	151	10	n‐coordinating	n‐coordinating	NOUN
eurjchem-972	151	11	ammonia	ammonia	NOUN
eurjchem-972	151	12	.	.	PUNCT
eurjchem-972	152	1	the	the	DET
eurjchem-972	152	2	calculated	calculate	VERB
eurjchem-972	152	3	is	be	AUX
eurjchem-972	152	4	and	and	CCONJ
eurjchem-972	152	5	qs	qs	VERB
eurjchem-972	152	6	for	for	ADP
eurjchem-972	152	7	optimized	optimize	VERB
eurjchem-972	152	8	octahedral	octahedral	ADJ
eurjchem-972	152	9	structures	structure	NOUN
eurjchem-972	152	10	in	in	ADP
eurjchem-972	152	11	high‐spin	high‐spin	PROPN
eurjchem-972	152	12	(	(	PUNCT
eurjchem-972	152	13	s	s	NOUN
eurjchem-972	152	14	=	=	SYM
eurjchem-972	152	15	2	2	NUM
eurjchem-972	152	16	)	)	PUNCT
eurjchem-972	152	17	and	and	CCONJ
eurjchem-972	152	18	low‐spin	low‐spin	NOUN
eurjchem-972	152	19	(	(	PUNCT
eurjchem-972	152	20	s	s	NOUN
eurjchem-972	152	21	=	=	NOUN
eurjchem-972	152	22	0	0	NUM
eurjchem-972	152	23	)	)	PUNCT
eurjchem-972	152	24	,	,	PUNCT
eurjchem-972	152	25	see	see	VERB
eurjchem-972	152	26	table	table	NOUN
eurjchem-972	152	27	2	2	NUM
eurjchem-972	152	28	,	,	PUNCT
eurjchem-972	152	29	clearly	clearly	ADV
eurjchem-972	152	30	show	show	VERB
eurjchem-972	152	31	the	the	DET
eurjchem-972	152	32	experimentally	experimentally	ADV
eurjchem-972	152	33	expected	expect	VERB
eurjchem-972	152	34	strong	strong	ADJ
eurjchem-972	152	35	decrease	decrease	NOUN
eurjchem-972	152	36	in	in	ADP
eurjchem-972	152	37	the	the	DET
eurjchem-972	152	38	calculated	calculate	VERB
eurjchem-972	152	39	qs	qs	NOUN
eurjchem-972	152	40	by	by	ADP
eurjchem-972	152	41	more	more	ADJ
eurjchem-972	152	42	than	than	ADP
eurjchem-972	152	43	1.1	1.1	NUM
eurjchem-972	152	44	mm	mm	NOUN
eurjchem-972	152	45	/	/	SYM
eurjchem-972	152	46	s.	s.	PROPN
eurjchem-972	152	47	this	this	DET
eurjchem-972	152	48	result	result	NOUN
eurjchem-972	152	49	illustrates	illustrate	VERB
eurjchem-972	152	50	the	the	DET
eurjchem-972	152	51	role	role	NOUN
eurjchem-972	152	52	of	of	ADP
eurjchem-972	152	53	the	the	DET
eurjchem-972	152	54	coordinating	coordinate	VERB
eurjchem-972	152	55	ligands	ligand	NOUN
eurjchem-972	152	56	in	in	ADP
eurjchem-972	152	57	ruling	rule	VERB
eurjchem-972	152	58	the	the	DET
eurjchem-972	152	59	electronic	electronic	ADJ
eurjchem-972	152	60	structure	structure	NOUN
eurjchem-972	152	61	of	of	ADP
eurjchem-972	152	62	the	the	DET
eurjchem-972	152	63	complexes	complex	NOUN
eurjchem-972	152	64	and	and	CCONJ
eurjchem-972	152	65	the	the	DET
eurjchem-972	152	66	possible	possible	ADJ
eurjchem-972	152	67	spin‐transitions	spin‐transition	NOUN
eurjchem-972	152	68	.	.	PUNCT
eurjchem-972	153	1	4	4	X
eurjchem-972	153	2	.	.	X
eurjchem-972	153	3	conclusion	conclusion	VERB
eurjchem-972	153	4	the	the	DET
eurjchem-972	153	5	main	main	ADJ
eurjchem-972	153	6	problem	problem	NOUN
eurjchem-972	153	7	we	we	PRON
eurjchem-972	153	8	aimed	aim	VERB
eurjchem-972	153	9	to	to	PART
eurjchem-972	153	10	solve	solve	VERB
eurjchem-972	153	11	by	by	ADP
eurjchem-972	153	12	the	the	DET
eurjchem-972	153	13	theoretical	theoretical	ADJ
eurjchem-972	153	14	calculations	calculation	NOUN
eurjchem-972	153	15	was	be	AUX
eurjchem-972	153	16	to	to	PART
eurjchem-972	153	17	find	find	VERB
eurjchem-972	153	18	out	out	ADP
eurjchem-972	153	19	the	the	DET
eurjchem-972	153	20	origin	origin	NOUN
eurjchem-972	153	21	of	of	ADP
eurjchem-972	153	22	the	the	DET
eurjchem-972	153	23	new	new	ADJ
eurjchem-972	153	24	component	component	NOUN
eurjchem-972	153	25	that	that	PRON
eurjchem-972	153	26	appears	appear	VERB
eurjchem-972	153	27	in	in	ADP
eurjchem-972	153	28	the	the	DET
eurjchem-972	153	29	mössbauer	mössbauer	PROPN
eurjchem-972	153	30	spectrum	spectrum	NOUN
eurjchem-972	153	31	at	at	ADP
eurjchem-972	153	32	77	77	NUM
eurjchem-972	153	33	k	k	NOUN
eurjchem-972	153	34	of	of	ADP
eurjchem-972	153	35	the	the	DET
eurjchem-972	153	36	fe(ii	fe(ii	PROPN
eurjchem-972	153	37	)	)	PUNCT
eurjchem-972	153	38	complex	complex	NOUN
eurjchem-972	153	39	of	of	ADP
eurjchem-972	153	40	2aid	2aid	NUM
eurjchem-972	153	41	.	.	PUNCT
eurjchem-972	154	1	the	the	DET
eurjchem-972	154	2	fact	fact	NOUN
eurjchem-972	154	3	that	that	SCONJ
eurjchem-972	154	4	its	its	PRON
eurjchem-972	154	5	relative	relative	ADJ
eurjchem-972	154	6	intensity	intensity	NOUN
eurjchem-972	154	7	remains	remain	VERB
eurjchem-972	154	8	unchanged	unchanged	ADJ
eurjchem-972	154	9	by	by	ADP
eurjchem-972	154	10	further	far	ADV
eurjchem-972	154	11	lowering	lower	VERB
eurjchem-972	154	12	the	the	DET
eurjchem-972	154	13	temperature	temperature	NOUN
eurjchem-972	154	14	indicates	indicate	VERB
eurjchem-972	154	15	that	that	SCONJ
eurjchem-972	154	16	a	a	DET
eurjchem-972	154	17	spin‐crossover	spin‐crossover	NOUN
eurjchem-972	154	18	process	process	NOUN
eurjchem-972	154	19	is	be	AUX
eurjchem-972	154	20	either	either	ADV
eurjchem-972	154	21	not	not	PART
eurjchem-972	154	22	operative	operative	ADJ
eurjchem-972	154	23	or	or	CCONJ
eurjchem-972	154	24	is	be	AUX
eurjchem-972	154	25	suppressed	suppress	VERB
eurjchem-972	154	26	by	by	ADP
eurjchem-972	154	27	the	the	DET
eurjchem-972	154	28	presence	presence	NOUN
eurjchem-972	154	29	of	of	ADP
eurjchem-972	154	30	high‐spin	high‐spin	ADJ
eurjchem-972	154	31	fe(iii	fe(iii	NOUN
eurjchem-972	154	32	)	)	PUNCT
eurjchem-972	154	33	species	specie	NOUN
eurjchem-972	154	34	.	.	PUNCT
eurjchem-972	155	1	our	our	PRON
eurjchem-972	155	2	calculations	calculation	NOUN
eurjchem-972	155	3	,	,	PUNCT
eurjchem-972	155	4	supported	support	VERB
eurjchem-972	155	5	by	by	ADP
eurjchem-972	155	6	the	the	DET
eurjchem-972	155	7	experimental	experimental	ADJ
eurjchem-972	155	8	data	data	PROPN
eurjchem-972	155	9	,	,	PUNCT
eurjchem-972	155	10	suggested	suggest	VERB
eurjchem-972	155	11	that	that	SCONJ
eurjchem-972	155	12	the	the	DET
eurjchem-972	155	13	fe	fe	NOUN
eurjchem-972	155	14	centers	center	NOUN
eurjchem-972	155	15	are	be	AUX
eurjchem-972	155	16	tightly	tightly	ADV
eurjchem-972	155	17	bound	bind	VERB
eurjchem-972	155	18	to	to	ADP
eurjchem-972	155	19	two	two	NUM
eurjchem-972	155	20	ligand	ligand	ADJ
eurjchem-972	155	21	molecules	molecule	NOUN
eurjchem-972	155	22	,	,	PUNCT
eurjchem-972	155	23	bringing	bring	VERB
eurjchem-972	155	24	in	in	ADP
eurjchem-972	155	25	total	total	ADJ
eurjchem-972	155	26	four	four	NUM
eurjchem-972	155	27	oxygen	oxygen	NOUN
eurjchem-972	155	28	donor	donor	NOUN
eurjchem-972	155	29	atoms	atom	NOUN
eurjchem-972	155	30	.	.	PUNCT
eurjchem-972	156	1	however	however	ADV
eurjchem-972	156	2	,	,	PUNCT
eurjchem-972	156	3	at	at	ADP
eurjchem-972	156	4	higher	high	ADJ
eurjchem-972	156	5	(	(	PUNCT
eurjchem-972	156	6	room	room	NOUN
eurjchem-972	156	7	)	)	PUNCT
eurjchem-972	156	8	temperature	temperature	NOUN
eurjchem-972	156	9	the	the	DET
eurjchem-972	156	10	non‐coordinated	non‐coordinated	ADJ
eurjchem-972	156	11	carbonyl	carbonyl	NOUN
eurjchem-972	156	12	groups	group	NOUN
eurjchem-972	156	13	from	from	ADP
eurjchem-972	156	14	the	the	DET
eurjchem-972	156	15	proximate	proximate	NOUN
eurjchem-972	156	16	complex	complex	ADJ
eurjchem-972	156	17	molecules	molecule	NOUN
eurjchem-972	156	18	do	do	AUX
eurjchem-972	156	19	interact	interact	VERB
eurjchem-972	156	20	with	with	ADP
eurjchem-972	156	21	fe	fe	NOUN
eurjchem-972	156	22	centers	center	NOUN
eurjchem-972	156	23	most	most	ADV
eurjchem-972	156	24	probably	probably	ADV
eurjchem-972	156	25	leading	lead	VERB
eurjchem-972	156	26	to	to	ADP
eurjchem-972	156	27	pseudo‐octahedral	pseudo‐octahedral	ADJ
eurjchem-972	156	28	environment	environment	NOUN
eurjchem-972	156	29	.	.	PUNCT
eurjchem-972	157	1	our	our	PRON
eurjchem-972	157	2	quantum‐chemical	quantum‐chemical	ADJ
eurjchem-972	157	3	calculations	calculation	NOUN
eurjchem-972	157	4	suggested	suggest	VERB
eurjchem-972	157	5	that	that	SCONJ
eurjchem-972	157	6	the	the	DET
eurjchem-972	157	7	geometry	geometry	NOUN
eurjchem-972	157	8	changes	change	VERB
eurjchem-972	157	9	to	to	PART
eurjchem-972	157	10	flattened	flatten	VERB
eurjchem-972	157	11	tetrahedron	tetrahedron	NOUN
eurjchem-972	157	12	when	when	SCONJ
eurjchem-972	157	13	the	the	DET
eurjchem-972	157	14	temperature	temperature	NOUN
eurjchem-972	157	15	is	be	AUX
eurjchem-972	157	16	lowered	lower	VERB
eurjchem-972	157	17	,	,	PUNCT
eurjchem-972	157	18	giving	give	VERB
eurjchem-972	157	19	rise	rise	NOUN
eurjchem-972	157	20	to	to	ADP
eurjchem-972	157	21	the	the	DET
eurjchem-972	157	22	observed	observe	VERB
eurjchem-972	157	23	new	new	ADJ
eurjchem-972	157	24	component	component	NOUN
eurjchem-972	157	25	in	in	ADP
eurjchem-972	157	26	the	the	DET
eurjchem-972	157	27	low‐	low‐	PROPN
eurjchem-972	157	28	temperature	temperature	NOUN
eurjchem-972	157	29	mössbauer	mössbauer	NOUN
eurjchem-972	157	30	spectrum	spectrum	NOUN
eurjchem-972	157	31	.	.	PUNCT
eurjchem-972	158	1	it	it	PRON
eurjchem-972	158	2	was	be	AUX
eurjchem-972	158	3	demonstrated	demonstrate	VERB
eurjchem-972	158	4	that	that	SCONJ
eurjchem-972	158	5	spin‐crossover	spin‐crossover	NOUN
eurjchem-972	158	6	process	process	NOUN
eurjchem-972	158	7	is	be	AUX
eurjchem-972	158	8	not	not	PART
eurjchem-972	158	9	active	active	ADJ
eurjchem-972	158	10	in	in	ADP
eurjchem-972	158	11	the	the	DET
eurjchem-972	158	12	case	case	NOUN
eurjchem-972	158	13	of	of	ADP
eurjchem-972	158	14	oxygen‐	oxygen‐	ADV
eurjchem-972	158	15	coordinated	coordinate	VERB
eurjchem-972	158	16	fe(ii	fe(ii	PROPN
eurjchem-972	158	17	)	)	PUNCT
eurjchem-972	158	18	,	,	PUNCT
eurjchem-972	158	19	in	in	ADP
eurjchem-972	158	20	contrast	contrast	NOUN
eurjchem-972	158	21	to	to	ADP
eurjchem-972	158	22	coordination	coordination	NOUN
eurjchem-972	158	23	with	with	ADP
eurjchem-972	158	24	n‐donor	n‐donor	NOUN
eurjchem-972	158	25	atoms	atom	NOUN
eurjchem-972	158	26	,	,	PUNCT
eurjchem-972	158	27	which	which	PRON
eurjchem-972	158	28	facilitates	facilitate	VERB
eurjchem-972	158	29	the	the	DET
eurjchem-972	158	30	spin‐transition	spin‐transition	NOUN
eurjchem-972	158	31	due	due	ADP
eurjchem-972	158	32	to	to	ADP
eurjchem-972	158	33	stronger	strong	ADJ
eurjchem-972	158	34	covalent	covalent	ADJ
eurjchem-972	158	35	interactions	interaction	NOUN
eurjchem-972	158	36	.	.	PUNCT
eurjchem-972	159	1	although	although	SCONJ
eurjchem-972	159	2	incomplete	incomplete	ADJ
eurjchem-972	159	3	spin‐crossover	spin‐crossover	NOUN
eurjchem-972	159	4	is	be	AUX
eurjchem-972	159	5	also	also	ADV
eurjchem-972	159	6	possible	possible	ADJ
eurjchem-972	159	7	,	,	PUNCT
eurjchem-972	159	8	it	it	PRON
eurjchem-972	159	9	is	be	AUX
eurjchem-972	159	10	less	less	ADV
eurjchem-972	159	11	probable	probable	ADJ
eurjchem-972	159	12	in	in	ADP
eurjchem-972	159	13	our	our	PRON
eurjchem-972	159	14	case	case	NOUN
eurjchem-972	159	15	because	because	SCONJ
eurjchem-972	159	16	,	,	PUNCT
eurjchem-972	159	17	to	to	ADP
eurjchem-972	159	18	the	the	DET
eurjchem-972	159	19	best	good	ADJ
eurjchem-972	159	20	of	of	ADP
eurjchem-972	159	21	our	our	PRON
eurjchem-972	159	22	knowledge	knowledge	NOUN
eurjchem-972	159	23	,	,	PUNCT
eurjchem-972	159	24	spin‐crossover	spin‐crossover	NOUN
eurjchem-972	159	25	phenomenon	phenomenon	NOUN
eurjchem-972	159	26	for	for	ADP
eurjchem-972	159	27	metallo‐	metallo‐	ADJ
eurjchem-972	159	28	organic	organic	ADJ
eurjchem-972	159	29	complexes	complex	NOUN
eurjchem-972	159	30	of	of	ADP
eurjchem-972	159	31	fe(ii	fe(ii	PROPN
eurjchem-972	159	32	)	)	PUNCT
eurjchem-972	159	33	coordinated	coordinate	VERB
eurjchem-972	159	34	only	only	ADV
eurjchem-972	159	35	with	with	ADP
eurjchem-972	159	36	oxygens	oxygen	NOUN
eurjchem-972	159	37	is	be	AUX
eurjchem-972	159	38	not	not	PART
eurjchem-972	159	39	reported	report	VERB
eurjchem-972	159	40	in	in	ADP
eurjchem-972	159	41	the	the	DET
eurjchem-972	159	42	literature	literature	NOUN
eurjchem-972	159	43	.	.	PUNCT
eurjchem-972	160	1	to	to	PART
eurjchem-972	160	2	put	put	VERB
eurjchem-972	160	3	it	it	PRON
eurjchem-972	160	4	in	in	ADP
eurjchem-972	160	5	a	a	DET
eurjchem-972	160	6	nutshell	nutshell	NOUN
eurjchem-972	160	7	,	,	PUNCT
eurjchem-972	160	8	we	we	PRON
eurjchem-972	160	9	attempted	attempt	VERB
eurjchem-972	160	10	to	to	PART
eurjchem-972	160	11	demonstrate	demonstrate	VERB
eurjchem-972	160	12	that	that	SCONJ
eurjchem-972	160	13	the	the	DET
eurjchem-972	160	14	integrated	integrate	VERB
eurjchem-972	160	15	approach	approach	NOUN
eurjchem-972	160	16	of	of	ADP
eurjchem-972	160	17	theoretical	theoretical	ADJ
eurjchem-972	160	18	and	and	CCONJ
eurjchem-972	160	19	experimental	experimental	ADJ
eurjchem-972	160	20	studies	study	NOUN
eurjchem-972	160	21	is	be	AUX
eurjchem-972	160	22	the	the	DET
eurjchem-972	160	23	preferred	preferred	ADJ
eurjchem-972	160	24	way	way	NOUN
eurjchem-972	160	25	in	in	ADP
eurjchem-972	160	26	the	the	DET
eurjchem-972	160	27	search	search	NOUN
eurjchem-972	160	28	of	of	ADP
eurjchem-972	160	29	explanation	explanation	NOUN
eurjchem-972	160	30	of	of	ADP
eurjchem-972	160	31	complicated	complicated	ADJ
eurjchem-972	160	32	phenomena	phenomenon	NOUN
eurjchem-972	160	33	,	,	PUNCT
eurjchem-972	160	34	instead	instead	ADV
eurjchem-972	160	35	of	of	ADP
eurjchem-972	160	36	making	make	VERB
eurjchem-972	160	37	inconsiderate	inconsiderate	ADJ
eurjchem-972	160	38	conclusions	conclusion	NOUN
eurjchem-972	160	39	.	.	PUNCT
eurjchem-972	161	1	acknowledgements	acknowledgement	NOUN
eurjchem-972	161	2	publication	publication	NOUN
eurjchem-972	161	3	of	of	ADP
eurjchem-972	161	4	the	the	DET
eurjchem-972	161	5	paper	paper	NOUN
eurjchem-972	161	6	is	be	AUX
eurjchem-972	161	7	financed	finance	VERB
eurjchem-972	161	8	by	by	ADP
eurjchem-972	161	9	the	the	DET
eurjchem-972	161	10	bulgarian	bulgarian	PROPN
eurjchem-972	161	11	ministry	ministry	PROPN
eurjchem-972	161	12	of	of	ADP
eurjchem-972	161	13	education	education	PROPN
eurjchem-972	161	14	,	,	PUNCT
eurjchem-972	161	15	youth	youth	NOUN
eurjchem-972	161	16	and	and	CCONJ
eurjchem-972	161	17	science	science	NOUN
eurjchem-972	161	18	in	in	ADP
eurjchem-972	161	19	the	the	DET
eurjchem-972	161	20	frame	frame	NOUN
eurjchem-972	161	21	of	of	ADP
eurjchem-972	161	22	contract	contract	NOUN
eurjchem-972	161	23	bg051po001/3.3‐05	bg051po001/3.3‐05	ADJ
eurjchem-972	161	24	“	"	PUNCT
eurjchem-972	161	25	science	science	NOUN
eurjchem-972	161	26	and	and	CCONJ
eurjchem-972	161	27	business	business	NOUN
eurjchem-972	161	28	”	"	PUNCT
eurjchem-972	161	29	,	,	PUNCT
eurjchem-972	161	30	within	within	ADP
eurjchem-972	161	31	the	the	DET
eurjchem-972	161	32	operational	operational	ADJ
eurjchem-972	161	33	programme	programme	NOUN
eurjchem-972	161	34	“	"	PUNCT
eurjchem-972	161	35	human	human	ADJ
eurjchem-972	161	36	resources	resource	NOUN
eurjchem-972	161	37	development	development	NOUN
eurjchem-972	161	38	”	"	PUNCT
eurjchem-972	161	39	.	.	PUNCT
eurjchem-972	162	1	(	(	PUNCT
eurjchem-972	162	2	project	project	VERB
eurjchem-972	162	3	no	no	PRON
eurjchem-972	162	4	:	:	PUNCT
eurjchem-972	162	5	do‐02/161	do‐02/161	ADJ
eurjchem-972	162	6	)	)	PUNCT
eurjchem-972	162	7	.	.	PUNCT
eurjchem-972	163	1	we	we	PRON
eurjchem-972	163	2	thank	thank	VERB
eurjchem-972	163	3	to	to	ADP
eurjchem-972	163	4	dr	dr	PROPN
eurjchem-972	163	5	.	.	PROPN
eurjchem-972	163	6	w.g	w.g	PROPN
eurjchem-972	163	7	.	.	PROPN
eurjchem-972	163	8	han	han	PROPN
eurjchem-972	163	9	and	and	CCONJ
eurjchem-972	163	10	prof	prof	PROPN
eurjchem-972	163	11	.	.	PUNCT
eurjchem-972	163	12	noodleman	noodleman	PROPN
eurjchem-972	163	13	for	for	ADP
eurjchem-972	163	14	providing	provide	VERB
eurjchem-972	163	15	us	we	PRON
eurjchem-972	163	16	the	the	DET
eurjchem-972	163	17	hyper2003	hyper2003	PROPN
eurjchem-972	163	18	program	program	NOUN
eurjchem-972	163	19	.	.	PUNCT
eurjchem-972	164	1	references	reference	NOUN
eurjchem-972	164	2	[	[	X
eurjchem-972	164	3	1	1	NUM
eurjchem-972	164	4	]	]	PUNCT
eurjchem-972	164	5	.	.	PUNCT
eurjchem-972	165	1	enchev	enchev	PROPN
eurjchem-972	165	2	,	,	PUNCT
eurjchem-972	165	3	v.	v.	PROPN
eurjchem-972	165	4	;	;	PUNCT
eurjchem-972	165	5	bakalova	bakalova	X
eurjchem-972	165	6	,	,	PUNCT
eurjchem-972	165	7	s.	s.	PROPN
eurjchem-972	165	8	;	;	PUNCT
eurjchem-972	165	9	ivanova	ivanova	PROPN
eurjchem-972	165	10	,	,	PUNCT
eurjchem-972	165	11	g.	g.	PROPN
eurjchem-972	165	12	;	;	PUNCT
eurjchem-972	165	13	stoyanov	stoyanov	PROPN
eurjchem-972	165	14	,	,	PUNCT
eurjchem-972	165	15	n.	n.	NOUN
eurjchem-972	165	16	chem	chem	NOUN
eurjchem-972	165	17	.	.	PUNCT
eurjchem-972	166	1	phys	phy	NOUN
eurjchem-972	166	2	.	.	PUNCT
eurjchem-972	167	1	lett	lett	PROPN
eurjchem-972	167	2	.	.	PUNCT
eurjchem-972	167	3	1999	1999	NUM
eurjchem-972	167	4	,	,	PUNCT
eurjchem-972	167	5	314	314	NUM
eurjchem-972	167	6	,	,	PUNCT
eurjchem-972	167	7	234‐238	234‐238	NUM
eurjchem-972	167	8	.	.	PUNCT
eurjchem-972	168	1	[	[	X
eurjchem-972	168	2	2	2	NUM
eurjchem-972	168	3	]	]	PUNCT
eurjchem-972	168	4	.	.	PUNCT
eurjchem-972	169	1	ahmedova	ahmedova	PROPN
eurjchem-972	169	2	,	,	PUNCT
eurjchem-972	169	3	a.	a.	NOUN
eurjchem-972	169	4	;	;	PUNCT
eurjchem-972	169	5	mantareva	mantareva	PROPN
eurjchem-972	169	6	,	,	PUNCT
eurjchem-972	169	7	v.	v.	PROPN
eurjchem-972	169	8	;	;	PUNCT
eurjchem-972	169	9	enchev	enchev	PROPN
eurjchem-972	169	10	,	,	PUNCT
eurjchem-972	169	11	v.	v.	PROPN
eurjchem-972	169	12	;	;	PUNCT
eurjchem-972	169	13	mitewa	mitewa	PROPN
eurjchem-972	169	14	,	,	PUNCT
eurjchem-972	169	15	m.	m.	NOUN
eurjchem-972	169	16	int	int	PROPN
eurjchem-972	169	17	.	.	PUNCT
eurjchem-972	170	1	journ	journ	PROPN
eurjchem-972	170	2	.	.	PUNCT
eurjchem-972	171	1	cosmetic	cosmetic	PROPN
eurjchem-972	171	2	sci	sci	PROPN
eurjchem-972	171	3	.	.	PROPN
eurjchem-972	171	4	2002	2002	NUM
eurjchem-972	171	5	,	,	PUNCT
eurjchem-972	171	6	24	24	NUM
eurjchem-972	171	7	,	,	PUNCT
eurjchem-972	171	8	103‐110	103‐110	NUM
eurjchem-972	171	9	.	.	PUNCT
eurjchem-972	172	1	[	[	X
eurjchem-972	172	2	3	3	NUM
eurjchem-972	172	3	]	]	PUNCT
eurjchem-972	172	4	.	.	PUNCT
eurjchem-972	173	1	zacharova‐kalavska	zacharova‐kalavska	PROPN
eurjchem-972	173	2	,	,	PUNCT
eurjchem-972	173	3	d.	d.	PROPN
eurjchem-972	173	4	;	;	PUNCT
eurjchem-972	173	5	perjessy	perjessy	ADJ
eurjchem-972	173	6	,	,	PUNCT
eurjchem-972	173	7	a.	a.	NOUN
eurjchem-972	173	8	;	;	PUNCT
eurjchem-972	173	9	zelensky	zelensky	PROPN
eurjchem-972	173	10	,	,	PUNCT
eurjchem-972	173	11	i.	i.	PROPN
eurjchem-972	173	12	coll	coll	PROPN
eurjchem-972	173	13	.	.	PUNCT
eurjchem-972	174	1	czech	czech	PROPN
eurjchem-972	174	2	.	.	PUNCT
eurjchem-972	175	1	chem	chem	PROPN
eurjchem-972	175	2	.	.	PUNCT
eurjchem-972	176	1	commun	commun	PROPN
eurjchem-972	176	2	.	.	PUNCT
eurjchem-972	177	1	1970	1970	NUM
eurjchem-972	177	2	,	,	PUNCT
eurjchem-972	177	3	35	35	NUM
eurjchem-972	177	4	,	,	PUNCT
eurjchem-972	177	5	225‐232	225‐232	NOUN
eurjchem-972	177	6	.	.	PUNCT
eurjchem-972	178	1	[	[	X
eurjchem-972	178	2	4	4	NUM
eurjchem-972	178	3	]	]	PUNCT
eurjchem-972	178	4	.	.	PUNCT
eurjchem-972	178	5	tihvinskaya	tihvinskaya	PROPN
eurjchem-972	178	6	,	,	PUNCT
eurjchem-972	178	7	t.	t.	PROPN
eurjchem-972	178	8	i.	i.	PROPN
eurjchem-972	178	9	;	;	PUNCT
eurjchem-972	178	10	egert	egert	PROPN
eurjchem-972	178	11	,	,	PUNCT
eurjchem-972	178	12	v.	v.	PROPN
eurjchem-972	178	13	e.	e.	PROPN
eurjchem-972	178	14	;	;	PUNCT
eurjchem-972	178	15	semenova	semenova	PROPN
eurjchem-972	178	16	,	,	PUNCT
eurjchem-972	178	17	g.	g.	PROPN
eurjchem-972	178	18	p.	p.	PROPN
eurjchem-972	178	19	;	;	PUNCT
eurjchem-972	179	1	yankovskaya	yankovskaya	PROPN
eurjchem-972	179	2	,	,	PUNCT
eurjchem-972	179	3	d.	d.	PROPN
eurjchem-972	179	4	y.	y.	PROPN
eurjchem-972	179	5	izv	izv	PROPN
eurjchem-972	179	6	.	.	PUNCT
eurjchem-972	180	1	acad	acad	PROPN
eurjchem-972	180	2	.	.	PUNCT
eurjchem-972	181	1	nauk	nauk	ADJ
eurjchem-972	181	2	latv	latv	PROPN
eurjchem-972	181	3	.	.	PUNCT
eurjchem-972	182	1	ssr	ssr	PROPN
eurjchem-972	182	2	.	.	PUNCT
eurjchem-972	182	3	ser	ser	PROPN
eurjchem-972	182	4	.	.	PUNCT
eurjchem-972	183	1	khim	khim	PROPN
eurjchem-972	183	2	.	.	PUNCT
eurjchem-972	184	1	1979	1979	NUM
eurjchem-972	184	2	,	,	PUNCT
eurjchem-972	184	3	2	2	NUM
eurjchem-972	184	4	,	,	PUNCT
eurjchem-972	184	5	220‐224	220‐224	NUM
eurjchem-972	184	6	.	.	PUNCT
eurjchem-972	185	1	[	[	X
eurjchem-972	185	2	5	5	NUM
eurjchem-972	185	3	]	]	PUNCT
eurjchem-972	185	4	.	.	PUNCT
eurjchem-972	186	1	ahmedova	ahmedova	PROPN
eurjchem-972	186	2	,	,	PUNCT
eurjchem-972	186	3	a.	a.	NOUN
eurjchem-972	186	4	;	;	PUNCT
eurjchem-972	186	5	rusanov	rusanov	PROPN
eurjchem-972	186	6	,	,	PUNCT
eurjchem-972	186	7	v.	v.	PROPN
eurjchem-972	186	8	;	;	PUNCT
eurjchem-972	186	9	hazell	hazell	PROPN
eurjchem-972	186	10	,	,	PUNCT
eurjchem-972	186	11	a.	a.	PROPN
eurjchem-972	186	12	;	;	PUNCT
eurjchem-972	186	13	wolny	wolny	PROPN
eurjchem-972	186	14	,	,	PUNCT
eurjchem-972	186	15	j.	j.	PROPN
eurjchem-972	186	16	;	;	PUNCT
eurjchem-972	186	17	gochev	gochev	PROPN
eurjchem-972	186	18	,	,	PUNCT
eurjchem-972	186	19	g.	g.	PROPN
eurjchem-972	186	20	;	;	PUNCT
eurjchem-972	186	21	trautwein	trautwein	ADV
eurjchem-972	186	22	,	,	PUNCT
eurjchem-972	186	23	a.	a.	NOUN
eurjchem-972	186	24	x.	x.	NOUN
eurjchem-972	186	25	;	;	PUNCT
eurjchem-972	186	26	mitewa	mitewa	PROPN
eurjchem-972	186	27	,	,	PUNCT
eurjchem-972	186	28	m.	m.	NOUN
eurjchem-972	186	29	inorg	inorg	PROPN
eurjchem-972	186	30	.	.	PUNCT
eurjchem-972	187	1	chim	chim	PROPN
eurjchem-972	187	2	.	.	PUNCT
eurjchem-972	188	1	acta	acta	PROPN
eurjchem-972	188	2	2006	2006	NUM
eurjchem-972	188	3	,	,	PUNCT
eurjchem-972	188	4	359	359	NUM
eurjchem-972	188	5	,	,	PUNCT
eurjchem-972	188	6	3123‐3128	3123‐3128	NUM
eurjchem-972	188	7	.	.	PUNCT
eurjchem-972	189	1	[	[	X
eurjchem-972	189	2	6	6	NUM
eurjchem-972	189	3	]	]	PUNCT
eurjchem-972	189	4	.	.	PUNCT
eurjchem-972	190	1	ahmedova	ahmedova	PROPN
eurjchem-972	190	2	,	,	PUNCT
eurjchem-972	190	3	a.	a.	NOUN
eurjchem-972	190	4	;	;	PUNCT
eurjchem-972	190	5	cador	cador	PROPN
eurjchem-972	190	6	,	,	PUNCT
eurjchem-972	190	7	o.	o.	PROPN
eurjchem-972	190	8	;	;	PUNCT
eurjchem-972	190	9	sorace	sorace	PROPN
eurjchem-972	190	10	,	,	PUNCT
eurjchem-972	190	11	l.	l.	PROPN
eurjchem-972	190	12	;	;	PUNCT
eurjchem-972	190	13	ciattini	ciattini	PROPN
eurjchem-972	190	14	,	,	PUNCT
eurjchem-972	190	15	s.	s.	PROPN
eurjchem-972	190	16	;	;	PUNCT
eurjchem-972	190	17	gatteschi	gatteschi	PROPN
eurjchem-972	190	18	,	,	PUNCT
eurjchem-972	190	19	d.	d.	PROPN
eurjchem-972	190	20	;	;	PUNCT
eurjchem-972	190	21	mitewa	mitewa	PROPN
eurjchem-972	190	22	,	,	PUNCT
eurjchem-972	190	23	m.	m.	NOUN
eurjchem-972	190	24	j.	j.	PROPN
eurjchem-972	190	25	coord	coord	PROPN
eurjchem-972	190	26	.	.	PUNCT
eurjchem-972	191	1	chem	chem	PROPN
eurjchem-972	191	2	.	.	PUNCT
eurjchem-972	192	1	2008	2008	NUM
eurjchem-972	192	2	,	,	PUNCT
eurjchem-972	192	3	61	61	NUM
eurjchem-972	192	4	,	,	PUNCT
eurjchem-972	192	5	3879‐3886	3879‐3886	NUM
eurjchem-972	192	6	.	.	PUNCT
eurjchem-972	193	1	[	[	X
eurjchem-972	193	2	7	7	NUM
eurjchem-972	193	3	]	]	PUNCT
eurjchem-972	193	4	.	.	PUNCT
eurjchem-972	193	5	ahmedova	ahmedova	PROPN
eurjchem-972	193	6	,	,	PUNCT
eurjchem-972	193	7	a.	a.	NOUN
eurjchem-972	193	8	;	;	PUNCT
eurjchem-972	193	9	marinova	marinova	PROPN
eurjchem-972	193	10	,	,	PUNCT
eurjchem-972	193	11	p.	p.	PROPN
eurjchem-972	193	12	;	;	PUNCT
eurjchem-972	193	13	c	c	PROPN
eurjchem-972	193	14	iattini	iattini	X
eurjchem-972	193	15	,	,	PUNCT
eurjchem-972	193	16	s.	s.	PROPN
eurjchem-972	193	17	;	;	PUNCT
eurjchem-972	193	18	stoyanov	stoyanov	PROPN
eurjchem-972	193	19	,	,	PUNCT
eurjchem-972	193	20	n.	n.	NOUN
eurjchem-972	193	21	;	;	PUNCT
eurjchem-972	193	22	springborg	springborg	ADJ
eurjchem-972	193	23	,	,	PUNCT
eurjchem-972	193	24	m.	m.	NOUN
eurjchem-972	193	25	;	;	PUNCT
eurjchem-972	193	26	mitewa	mitewa	PROPN
eurjchem-972	193	27	,	,	PUNCT
eurjchem-972	193	28	m.	m.	NOUN
eurjchem-972	193	29	struct	struct	NOUN
eurjchem-972	193	30	.	.	PUNCT
eurjchem-972	194	1	chem	chem	NOUN
eurjchem-972	194	2	.	.	PUNCT
eurjchem-972	195	1	2009	2009	NUM
eurjchem-972	195	2	,	,	PUNCT
eurjchem-972	195	3	20	20	NUM
eurjchem-972	195	4	,	,	PUNCT
eurjchem-972	195	5	101‐111	101‐111	NUM
eurjchem-972	195	6	.	.	PUNCT
eurjchem-972	196	1	[	[	X
eurjchem-972	196	2	8	8	NUM
eurjchem-972	196	3	]	]	PUNCT
eurjchem-972	196	4	.	.	PUNCT
eurjchem-972	197	1	ahmedova	ahmedova	PROPN
eurjchem-972	197	2	,	,	PUNCT
eurjchem-972	197	3	a.	a.	NOUN
eurjchem-972	197	4	;	;	PUNCT
eurjchem-972	197	5	atanasov	atanasov	NOUN
eurjchem-972	197	6	,	,	PUNCT
eurjchem-972	197	7	v.	v.	PROPN
eurjchem-972	197	8	;	;	PUNCT
eurjchem-972	197	9	marinova	marinova	PROPN
eurjchem-972	197	10	,	,	PUNCT
eurjchem-972	197	11	p.	p.	NOUN
eurjchem-972	197	12	;	;	PUNCT
eurjchem-972	197	13	stoyanov	stoyanov	PROPN
eurjchem-972	197	14	,	,	PUNCT
eurjchem-972	197	15	n.	n.	NOUN
eurjchem-972	197	16	;	;	PUNCT
eurjchem-972	197	17	mitewa	mitewa	PROPN
eurjchem-972	197	18	,	,	PUNCT
eurjchem-972	197	19	m.	m.	NOUN
eurjchem-972	197	20	cent	cent	NOUN
eurjchem-972	197	21	.	.	PUNCT
eurjchem-972	198	1	eur	eur	PROPN
eurjchem-972	198	2	.	.	PUNCT
eurjchem-972	199	1	j.	j.	PROPN
eurjchem-972	199	2	chem	chem	PROPN
eurjchem-972	199	3	.	.	PUNCT
eurjchem-972	200	1	2009	2009	NUM
eurjchem-972	200	2	,	,	PUNCT
eurjchem-972	200	3	7	7	NUM
eurjchem-972	200	4	,	,	PUNCT
eurjchem-972	200	5	429‐438	429‐438	NOUN
eurjchem-972	200	6	.	.	PUNCT
eurjchem-972	201	1	[	[	X
eurjchem-972	201	2	9	9	NUM
eurjchem-972	201	3	]	]	PUNCT
eurjchem-972	201	4	.	.	PUNCT
eurjchem-972	202	1	ahmedova	ahmedova	PROPN
eurjchem-972	202	2	,	,	PUNCT
eurjchem-972	202	3	a.	a.	NOUN
eurjchem-972	202	4	;	;	PUNCT
eurjchem-972	202	5	burdzhiev	burdzhiev	PROPN
eurjchem-972	202	6	,	,	PUNCT
eurjchem-972	202	7	n.	n.	PROPN
eurjchem-972	202	8	;	;	PUNCT
eurjchem-972	202	9	ciattini	ciattini	PROPN
eurjchem-972	202	10	,	,	PUNCT
eurjchem-972	202	11	s.	s.	PROPN
eurjchem-972	202	12	;	;	PUNCT
eurjchem-972	202	13	stanoeva	stanoeva	PROPN
eurjchem-972	202	14	,	,	PUNCT
eurjchem-972	202	15	e.	e.	PROPN
eurjchem-972	202	16	;	;	PUNCT
eurjchem-972	202	17	mitewa	mitewa	PROPN
eurjchem-972	202	18	,	,	PUNCT
eurjchem-972	202	19	m.	m.	PROPN
eurjchem-972	202	20	c.	c.	PROPN
eurjchem-972	202	21	r.	r.	PROPN
eurjchem-972	202	22	chimie	chimie	PROPN
eurjchem-972	202	23	2010	2010	NUM
eurjchem-972	202	24	,	,	PUNCT
eurjchem-972	202	25	13	13	NUM
eurjchem-972	202	26	,	,	PUNCT
eurjchem-972	202	27	1269‐1277	1269‐1277	NUM
eurjchem-972	202	28	.	.	PUNCT
eurjchem-972	203	1	[	[	X
eurjchem-972	203	2	10	10	NUM
eurjchem-972	203	3	]	]	PUNCT
eurjchem-972	203	4	.	.	PUNCT
eurjchem-972	204	1	gütlich	gütlich	NOUN
eurjchem-972	204	2	,	,	PUNCT
eurjchem-972	204	3	p.	p.	NOUN
eurjchem-972	204	4	;	;	PUNCT
eurjchem-972	204	5	bill	bill	PROPN
eurjchem-972	204	6	,	,	PUNCT
eurjchem-972	204	7	e.	e.	PROPN
eurjchem-972	204	8	;	;	PUNCT
eurjchem-972	204	9	trautwein	trautwein	ADV
eurjchem-972	204	10	,	,	PUNCT
eurjchem-972	204	11	a.	a.	PROPN
eurjchem-972	204	12	x.	x.	PROPN
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eurjchem-972	204	16	transition	transition	NOUN
eurjchem-972	204	17	metal	metal	NOUN
eurjchem-972	204	18	chemistry	chemistry	NOUN
eurjchem-972	204	19	,	,	PUNCT
eurjchem-972	204	20	1st	1st	ADJ
eurjchem-972	204	21	edition	edition	NOUN
eurjchem-972	204	22	,	,	PUNCT
eurjchem-972	204	23	springer	springer	NOUN
eurjchem-972	204	24	,	,	PUNCT
eurjchem-972	204	25	2011	2011	NUM
eurjchem-972	204	26	.	.	PUNCT
eurjchem-972	205	1	[	[	X
eurjchem-972	205	2	11	11	NUM
eurjchem-972	205	3	]	]	PUNCT
eurjchem-972	205	4	.	.	PUNCT
eurjchem-972	206	1	rusanov	rusanov	PROPN
eurjchem-972	206	2	,	,	PUNCT
eurjchem-972	206	3	v.	v.	PROPN
eurjchem-972	206	4	;	;	PUNCT
eurjchem-972	206	5	paulsen	paulsen	PROPN
eurjchem-972	206	6	,	,	PUNCT
eurjchem-972	206	7	h.	h.	PROPN
eurjchem-972	206	8	;	;	PUNCT
eurjchem-972	206	9	boettger	boettger	NOUN
eurjchem-972	206	10	,	,	PUNCT
eurjchem-972	206	11	l.	l.	PROPN
eurjchem-972	206	12	h.	h.	PROPN
eurjchem-972	206	13	;	;	PUNCT
eurjchem-972	206	14	winkler	winkler	PROPN
eurjchem-972	206	15	,	,	PUNCT
eurjchem-972	206	16	h.	h.	PROPN
eurjchem-972	206	17	;	;	PUNCT
eurjchem-972	206	18	wolny	wolny	PROPN
eurjchem-972	206	19	,	,	PUNCT
eurjchem-972	206	20	j.	j.	PROPN
eurjchem-972	206	21	a.	a.	PROPN
eurjchem-972	206	22	;	;	PUNCT
eurjchem-972	206	23	koop	koop	PROPN
eurjchem-972	206	24	,	,	PUNCT
eurjchem-972	206	25	n.	n.	NOUN
eurjchem-972	206	26	;	;	PUNCT
eurjchem-972	206	27	dorn	dorn	PROPN
eurjchem-972	206	28	,	,	PUNCT
eurjchem-972	206	29	t.	t.	PROPN
eurjchem-972	206	30	;	;	PUNCT
eurjchem-972	206	31	janiak	janiak	PROPN
eurjchem-972	206	32	,	,	PUNCT
eurjchem-972	206	33	c.	c.	PROPN
eurjchem-972	206	34	;	;	PUNCT
eurjchem-972	206	35	trautwein	trautwein	ADV
eurjchem-972	206	36	,	,	PUNCT
eurjchem-972	206	37	a.	a.	NOUN
eurjchem-972	206	38	x.	x.	PROPN
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eurjchem-972	206	41	.	.	PUNCT
eurjchem-972	207	1	2007	2007	NUM
eurjchem-972	207	2	,	,	PUNCT
eurjchem-972	207	3	175	175	NUM
eurjchem-972	207	4	,	,	PUNCT
eurjchem-972	207	5	141‐150	141‐150	NUM
eurjchem-972	207	6	.	.	PUNCT
eurjchem-972	208	1	[	[	X
eurjchem-972	208	2	12	12	NUM
eurjchem-972	208	3	]	]	PUNCT
eurjchem-972	208	4	.	.	PUNCT
eurjchem-972	209	1	sandala	sandala	PROPN
eurjchem-972	209	2	,	,	PUNCT
eurjchem-972	209	3	g.	g.	PROPN
eurjchem-972	209	4	m.	m.	PROPN
eurjchem-972	209	5	;	;	PUNCT
eurjchem-972	209	6	hopmann	hopmann	PROPN
eurjchem-972	209	7	,	,	PUNCT
eurjchem-972	209	8	k.	k.	PROPN
eurjchem-972	209	9	h.	h.	PROPN
eurjchem-972	209	10	;	;	PUNCT
eurjchem-972	209	11	ghosh	ghosh	PROPN
eurjchem-972	209	12	,	,	PUNCT
eurjchem-972	209	13	a.	a.	PROPN
eurjchem-972	209	14	;	;	PUNCT
eurjchem-972	209	15	noodleman	noodleman	PROPN
eurjchem-972	209	16	,	,	PUNCT
eurjchem-972	209	17	l.	l.	PROPN
eurjchem-972	209	18	j.	j.	PROPN
eurjchem-972	209	19	chem	chem	PROPN
eurjchem-972	209	20	.	.	PUNCT
eurjchem-972	210	1	theory	theory	NOUN
eurjchem-972	210	2	comput	comput	NOUN
eurjchem-972	210	3	.	.	PUNCT
eurjchem-972	211	1	2011	2011	NUM
eurjchem-972	211	2	,	,	PUNCT
eurjchem-972	211	3	7	7	NUM
eurjchem-972	211	4	,	,	PUNCT
eurjchem-972	211	5	3232‐3247	3232‐3247	NUM
eurjchem-972	211	6	.	.	PUNCT
eurjchem-972	212	1	[	[	X
eurjchem-972	212	2	13	13	NUM
eurjchem-972	212	3	]	]	PUNCT
eurjchem-972	212	4	.	.	PUNCT
eurjchem-972	213	1	paulsen	paulsen	PROPN
eurjchem-972	213	2	,	,	PUNCT
eurjchem-972	213	3	h.	h.	PROPN
eurjchem-972	213	4	;	;	PUNCT
eurjchem-972	213	5	schünemann	schünemann	PROPN
eurjchem-972	213	6	,	,	PUNCT
eurjchem-972	213	7	v.	v.	PROPN
eurjchem-972	213	8	;	;	PUNCT
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eurjchem-972	213	10	,	,	PUNCT
eurjchem-972	213	11	j.	j.	PROPN
eurjchem-972	213	12	a.	a.	PROPN
eurjchem-972	213	13	eur	eur	PROPN
eurjchem-972	213	14	.	.	PUNCT
eurjchem-972	214	1	j.	j.	PROPN
eurjchem-972	214	2	inorg	inorg	PROPN
eurjchem-972	214	3	.	.	PUNCT
eurjchem-972	215	1	chem	chem	PROPN
eurjchem-972	215	2	.	.	PUNCT
eurjchem-972	216	1	2013	2013	NUM
eurjchem-972	216	2	,	,	PUNCT
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eurjchem-972	216	4	,	,	PUNCT
eurjchem-972	216	5	628‐641	628‐641	NUM
eurjchem-972	216	6	.	.	PUNCT
eurjchem-972	217	1	[	[	X
eurjchem-972	217	2	14	14	NUM
eurjchem-972	217	3	]	]	PUNCT
eurjchem-972	217	4	.	.	PUNCT
eurjchem-972	218	1	liu	liu	PROPN
eurjchem-972	218	2	,	,	PUNCT
eurjchem-972	218	3	t.	t.	PROPN
eurjchem-972	218	4	;	;	PUNCT
eurjchem-972	218	5	lovell	lovell	PROPN
eurjchem-972	218	6	,	,	PUNCT
eurjchem-972	218	7	t.	t.	PROPN
eurjchem-972	218	8	;	;	PUNCT
eurjchem-972	218	9	han	han	PROPN
eurjchem-972	218	10	,	,	PUNCT
eurjchem-972	218	11	w.	w.	PROPN
eurjchem-972	218	12	g.	g.	PROPN
eurjchem-972	218	13	;	;	PUNCT
eurjchem-972	218	14	noodleman	noodleman	PROPN
eurjchem-972	218	15	,	,	PUNCT
eurjchem-972	218	16	l.	l.	PROPN
eurjchem-972	218	17	inorg	inorg	PROPN
eurjchem-972	218	18	.	.	PUNCT
eurjchem-972	219	1	chem	chem	PROPN
eurjchem-972	219	2	.	.	PUNCT
eurjchem-972	220	1	2003	2003	NUM
eurjchem-972	220	2	,	,	PUNCT
eurjchem-972	220	3	42	42	NUM
eurjchem-972	220	4	,	,	PUNCT
eurjchem-972	220	5	5244‐5251	5244‐5251	NUM
eurjchem-972	220	6	.	.	PUNCT
eurjchem-972	221	1	[	[	X
eurjchem-972	221	2	15	15	NUM
eurjchem-972	221	3	]	]	PUNCT
eurjchem-972	221	4	.	.	PUNCT
eurjchem-972	222	1	liu	liu	PROPN
eurjchem-972	222	2	,	,	PUNCT
eurjchem-972	222	3	t.	t.	PROPN
eurjchem-972	222	4	;	;	PUNCT
eurjchem-972	222	5	lovell	lovell	PROPN
eurjchem-972	222	6	,	,	PUNCT
eurjchem-972	222	7	t.	t.	PROPN
eurjchem-972	222	8	;	;	PUNCT
eurjchem-972	222	9	han	han	PROPN
eurjchem-972	222	10	,	,	PUNCT
eurjchem-972	222	11	w.	w.	PROPN
eurjchem-972	222	12	g.	g.	PROPN
eurjchem-972	222	13	;	;	PUNCT
eurjchem-972	222	14	noodleman	noodleman	PROPN
eurjchem-972	222	15	,	,	PUNCT
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eurjchem-972	222	17	inorg	inorg	PROPN
eurjchem-972	222	18	.	.	PUNCT
eurjchem-972	223	1	chem	chem	PROPN
eurjchem-972	223	2	.	.	PUNCT
eurjchem-972	224	1	2004	2004	NUM
eurjchem-972	224	2	,	,	PUNCT
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eurjchem-972	224	4	,	,	PUNCT
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eurjchem-972	224	6	.	.	PUNCT
eurjchem-972	225	1	[	[	X
eurjchem-972	225	2	16	16	NUM
eurjchem-972	225	3	]	]	PUNCT
eurjchem-972	225	4	.	.	PUNCT
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eurjchem-972	226	2	,	,	PUNCT
eurjchem-972	226	3	w.	w.	PROPN
eurjchem-972	226	4	g.	g.	PROPN
eurjchem-972	226	5	;	;	PUNCT
eurjchem-972	226	6	liu	liu	PROPN
eurjchem-972	226	7	,	,	PUNCT
eurjchem-972	226	8	t.	t.	PROPN
eurjchem-972	226	9	;	;	PUNCT
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eurjchem-972	226	11	,	,	PUNCT
eurjchem-972	226	12	t.	t.	PROPN
eurjchem-972	226	13	;	;	PUNCT
eurjchem-972	226	14	noodleman	noodleman	PROPN
eurjchem-972	226	15	,	,	PUNCT
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eurjchem-972	226	17	j.	j.	PROPN
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eurjchem-972	226	19	.	.	PUNCT
eurjchem-972	227	1	chem	chem	NOUN
eurjchem-972	227	2	.	.	PUNCT
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eurjchem-972	228	2	,	,	PUNCT
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eurjchem-972	228	4	,	,	PUNCT
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eurjchem-972	228	6	.	.	PUNCT
eurjchem-972	229	1	[	[	X
eurjchem-972	229	2	17	17	NUM
eurjchem-972	229	3	]	]	PUNCT
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eurjchem-972	231	1	01	01	NUM
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eurjchem-972	231	3	;	;	PUNCT
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eurjchem-972	231	5	,	,	PUNCT
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eurjchem-972	231	8	,	,	PUNCT
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eurjchem-972	231	10	universiteit	universiteit	PROPN
eurjchem-972	231	11	,	,	PUNCT
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eurjchem-972	231	13	,	,	PUNCT
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eurjchem-972	232	3	]	]	PUNCT
eurjchem-972	232	4	.	.	PUNCT
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eurjchem-972	232	10	.	.	PUNCT
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eurjchem-972	233	2	.	.	PUNCT
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eurjchem-972	234	2	,	,	PUNCT
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eurjchem-972	234	4	,	,	PUNCT
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eurjchem-972	234	6	.	.	PUNCT
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eurjchem-972	235	4	.	.	PUNCT
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eurjchem-972	236	5	,	,	PUNCT
eurjchem-972	236	6	t.	t.	PROPN
eurjchem-972	236	7	;	;	PUNCT
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eurjchem-972	236	9	,	,	PUNCT
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eurjchem-972	237	3	]	]	PUNCT
eurjchem-972	237	4	.	.	PUNCT
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eurjchem-972	239	3	]	]	PUNCT
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eurjchem-972	239	7	s.	s.	PROPN
eurjchem-972	239	8	;	;	PUNCT
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eurjchem-972	239	10	,	,	PUNCT
eurjchem-972	239	11	l.	l.	PROPN
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eurjchem-972	239	13	;	;	PUNCT
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eurjchem-972	239	15	,	,	PUNCT
eurjchem-972	239	16	e.	e.	PROPN
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eurjchem-972	239	22	.	.	PUNCT
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eurjchem-972	240	2	.	.	PUNCT
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eurjchem-972	241	2	,	,	PUNCT
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eurjchem-972	241	4	,	,	PUNCT
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eurjchem-972	241	7	.	.	PUNCT
eurjchem-972	242	1	[	[	X
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eurjchem-972	242	4	.	.	PUNCT
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eurjchem-972	243	4	;	;	PUNCT
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eurjchem-972	243	6	,	,	PUNCT
eurjchem-972	243	7	s.	s.	PROPN
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eurjchem-972	243	9	;	;	PUNCT
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eurjchem-972	243	11	,	,	PUNCT
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eurjchem-972	243	14	.	.	PUNCT
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eurjchem-972	244	2	.	.	PUNCT
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eurjchem-972	245	2	,	,	PUNCT
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eurjchem-972	245	4	,	,	PUNCT
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