id	sid	tid	token	lemma	pos
eurjchem-2484	1	1	4	4	NUM
eurjchem-2484	1	2	-	-	PUNCT
eurjchem-2484	1	3	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	1	4	dihydrogen	dihydrogen	NOUN
eurjchem-2484	1	5	phosphate	phosphate	NOUN
eurjchem-2484	1	6	monohydrate	monohydrate	NOUN
eurjchem-2484	1	7	,	,	PUNCT
eurjchem-2484	1	8	an	an	DET
eurjchem-2484	1	9	organophosphate	organophosphate	NOUN
eurjchem-2484	1	10	adducts	adduct	NOUN
eurjchem-2484	1	11	of	of	ADP
eurjchem-2484	1	12	4	4	NUM
eurjchem-2484	1	13	-	-	PUNCT
eurjchem-2484	1	14	amino	amino	ADJ
eurjchem-2484	1	15	benzoic	benzoic	NOUN
eurjchem-2484	1	16	acid	acid	NOUN
eurjchem-2484	1	17	:	:	PUNCT
eurjchem-2484	1	18	structural	structural	ADJ
eurjchem-2484	1	19	,	,	PUNCT
eurjchem-2484	1	20	vibrational	vibrational	NOUN
eurjchem-2484	1	21	,	,	PUNCT
eurjchem-2484	1	22	thermal	thermal	ADJ
eurjchem-2484	1	23	,	,	PUNCT
eurjchem-2484	1	24	and	and	CCONJ
eurjchem-2484	1	25	computational	computational	ADJ
eurjchem-2484	1	26	studies	study	NOUN
eurjchem-2484	1	27	european	european	PROPN
eurjchem-2484	1	28	journal	journal	PROPN
eurjchem-2484	1	29	of	of	ADP
eurjchem-2484	1	30	chemistry	chemistry	NOUN
eurjchem-2484	1	31	15	15	NUM
eurjchem-2484	1	32	(	(	PUNCT
eurjchem-2484	1	33	1	1	NUM
eurjchem-2484	1	34	)	)	PUNCT
eurjchem-2484	1	35	(	(	PUNCT
eurjchem-2484	1	36	2024	2024	NUM
eurjchem-2484	1	37	)	)	PUNCT
eurjchem-2484	1	38	1	1	NUM
eurjchem-2484	1	39	-	-	SYM
eurjchem-2484	1	40	16	16	NUM
eurjchem-2484	1	41	european	european	ADJ
eurjchem-2484	1	42	journal	journal	PROPN
eurjchem-2484	1	43	of	of	ADP
eurjchem-2484	1	44	chemistry	chemistry	NOUN
eurjchem-2484	1	45	issn	issn	VERB
eurjchem-2484	1	46	2153	2153	NUM
eurjchem-2484	1	47	-	-	SYM
eurjchem-2484	1	48	2249	2249	NUM
eurjchem-2484	1	49	(	(	PUNCT
eurjchem-2484	1	50	print	print	NOUN
eurjchem-2484	1	51	)	)	PUNCT
eurjchem-2484	1	52	/	/	PUNCT
eurjchem-2484	1	53	issn	issn	PROPN
eurjchem-2484	1	54	2153	2153	NUM
eurjchem-2484	1	55	-	-	SYM
eurjchem-2484	1	56	2257	2257	NUM
eurjchem-2484	1	57	(	(	PUNCT
eurjchem-2484	1	58	online	online	ADJ
eurjchem-2484	1	59	)	)	PUNCT
eurjchem-2484	1	60	–	–	PUNCT
eurjchem-2484	2	1	copyright	copyright	NOUN
eurjchem-2484	2	2	©	©	PROPN
eurjchem-2484	2	3	2024	2024	NUM
eurjchem-2484	2	4	the	the	DET
eurjchem-2484	2	5	authors	author	NOUN
eurjchem-2484	2	6	–	–	PUNCT
eurjchem-2484	2	7	atlanta	atlanta	PROPN
eurjchem-2484	2	8	publishing	publishing	PROPN
eurjchem-2484	2	9	house	house	PROPN
eurjchem-2484	2	10	llc	llc	PROPN
eurjchem-2484	2	11	–	–	PUNCT
eurjchem-2484	2	12	printed	print	VERB
eurjchem-2484	2	13	in	in	ADP
eurjchem-2484	2	14	the	the	DET
eurjchem-2484	2	15	usa	usa	PROPN
eurjchem-2484	2	16	.	.	PUNCT
eurjchem-2484	3	1	this	this	DET
eurjchem-2484	3	2	work	work	NOUN
eurjchem-2484	3	3	is	be	AUX
eurjchem-2484	3	4	published	publish	VERB
eurjchem-2484	3	5	and	and	CCONJ
eurjchem-2484	3	6	licensed	license	VERB
eurjchem-2484	3	7	by	by	ADP
eurjchem-2484	3	8	atlanta	atlanta	PROPN
eurjchem-2484	3	9	publishing	publishing	PROPN
eurjchem-2484	3	10	house	house	PROPN
eurjchem-2484	3	11	llc	llc	PROPN
eurjchem-2484	3	12	–	–	PUNCT
eurjchem-2484	3	13	cc	cc	PROPN
eurjchem-2484	3	14	by	by	ADP
eurjchem-2484	3	15	nc	nc	PROPN
eurjchem-2484	3	16	–	–	PUNCT
eurjchem-2484	3	17	some	some	DET
eurjchem-2484	3	18	rights	right	NOUN
eurjchem-2484	3	19	reserved	reserve	VERB
eurjchem-2484	3	20	.	.	PUNCT
eurjchem-2484	4	1	https://dx.doi.org/10.5155/eurjchem.15.1.1-16.2484	https://dx.doi.org/10.5155/eurjchem.15.1.1-16.2484	PROPN
eurjchem-2484	4	2	european	european	PROPN
eurjchem-2484	4	3	journal	journal	PROPN
eurjchem-2484	4	4	of	of	ADP
eurjchem-2484	4	5	chemistry	chemistry	NOUN
eurjchem-2484	4	6	view	view	NOUN
eurjchem-2484	4	7	journal	journal	PROPN
eurjchem-2484	4	8	online	online	PROPN
eurjchem-2484	4	9	view	view	NOUN
eurjchem-2484	4	10	article	article	NOUN
eurjchem-2484	4	11	online	online	ADJ
eurjchem-2484	4	12	4	4	NUM
eurjchem-2484	4	13	-	-	PUNCT
eurjchem-2484	4	14	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	4	15	dihydrogen	dihydrogen	NOUN
eurjchem-2484	4	16	phosphate	phosphate	NOUN
eurjchem-2484	4	17	monohydrate	monohydrate	NOUN
eurjchem-2484	4	18	,	,	PUNCT
eurjchem-2484	4	19	an	an	DET
eurjchem-2484	4	20	organophosphate	organophosphate	NOUN
eurjchem-2484	4	21	adducts	adduct	NOUN
eurjchem-2484	4	22	of	of	ADP
eurjchem-2484	4	23	4	4	NUM
eurjchem-2484	4	24	-	-	PUNCT
eurjchem-2484	4	25	amino	amino	ADJ
eurjchem-2484	4	26	benzoic	benzoic	NOUN
eurjchem-2484	4	27	acid	acid	NOUN
eurjchem-2484	4	28	:	:	PUNCT
eurjchem-2484	4	29	structural	structural	ADJ
eurjchem-2484	4	30	,	,	PUNCT
eurjchem-2484	4	31	vibrational	vibrational	NOUN
eurjchem-2484	4	32	,	,	PUNCT
eurjchem-2484	4	33	thermal	thermal	ADJ
eurjchem-2484	4	34	,	,	PUNCT
eurjchem-2484	4	35	and	and	CCONJ
eurjchem-2484	4	36	computational	computational	ADJ
eurjchem-2484	4	37	studies	study	NOUN
eurjchem-2484	4	38	lata	lata	PROPN
eurjchem-2484	4	39	panicker	panicker	PROPN
eurjchem-2484	4	40	*	*	PUNCT
eurjchem-2484	4	41	protein	protein	NOUN
eurjchem-2484	4	42	crystallography	crystallography	NOUN
eurjchem-2484	4	43	section	section	NOUN
eurjchem-2484	4	44	,	,	PUNCT
eurjchem-2484	4	45	bioscience	bioscience	NOUN
eurjchem-2484	4	46	group	group	NOUN
eurjchem-2484	4	47	,	,	PUNCT
eurjchem-2484	4	48	bhabha	bhabha	PROPN
eurjchem-2484	4	49	atomic	atomic	PROPN
eurjchem-2484	4	50	research	research	PROPN
eurjchem-2484	4	51	center	center	PROPN
eurjchem-2484	4	52	,	,	PUNCT
eurjchem-2484	4	53	trombay	trombay	PROPN
eurjchem-2484	4	54	,	,	PUNCT
eurjchem-2484	4	55	mumbai	mumbai	PROPN
eurjchem-2484	4	56	400085	400085	NUM
eurjchem-2484	4	57	,	,	PUNCT
eurjchem-2484	4	58	india	india	PROPN
eurjchem-2484	4	59	*	*	PUNCT
eurjchem-2484	4	60	corresponding	correspond	VERB
eurjchem-2484	4	61	author	author	NOUN
eurjchem-2484	4	62	at	at	ADP
eurjchem-2484	4	63	:	:	PUNCT
eurjchem-2484	4	64	protein	protein	NOUN
eurjchem-2484	4	65	crystallography	crystallography	NOUN
eurjchem-2484	4	66	section	section	NOUN
eurjchem-2484	4	67	,	,	PUNCT
eurjchem-2484	4	68	bioscience	bioscience	NOUN
eurjchem-2484	4	69	group	group	NOUN
eurjchem-2484	4	70	,	,	PUNCT
eurjchem-2484	4	71	bhabha	bhabha	PROPN
eurjchem-2484	4	72	atomic	atomic	PROPN
eurjchem-2484	4	73	research	research	PROPN
eurjchem-2484	4	74	center	center	PROPN
eurjchem-2484	4	75	,	,	PUNCT
eurjchem-2484	4	76	trombay	trombay	PROPN
eurjchem-2484	4	77	,	,	PUNCT
eurjchem-2484	4	78	mumbai	mumbai	PROPN
eurjchem-2484	4	79	400085	400085	NUM
eurjchem-2484	4	80	,	,	PUNCT
eurjchem-2484	4	81	india	india	PROPN
eurjchem-2484	4	82	.	.	PUNCT
eurjchem-2484	5	1	e	e	X
eurjchem-2484	5	2	-	-	NOUN
eurjchem-2484	5	3	mail	mail	NOUN
eurjchem-2484	5	4	:	:	PUNCT
eurjchem-2484	5	5	lata@barc.gov.in	lata@barc.gov.in	NOUN
eurjchem-2484	5	6	(	(	PUNCT
eurjchem-2484	5	7	l.	l.	PROPN
eurjchem-2484	5	8	panicker	panicker	PROPN
eurjchem-2484	5	9	)	)	PUNCT
eurjchem-2484	5	10	.	.	PUNCT
eurjchem-2484	6	1	10.5155	10.5155	NUM
eurjchem-2484	6	2	/	/	SYM
eurjchem-2484	6	3	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	6	4	-	-	SYM
eurjchem-2484	6	5	16.2484	16.2484	NUM
eurjchem-2484	6	6	received	receive	VERB
eurjchem-2484	6	7	:	:	PUNCT
eurjchem-2484	6	8	22	22	NUM
eurjchem-2484	6	9	october	october	PROPN
eurjchem-2484	6	10	2023	2023	NUM
eurjchem-2484	6	11	received	receive	VERB
eurjchem-2484	6	12	in	in	ADP
eurjchem-2484	6	13	revised	revise	VERB
eurjchem-2484	6	14	form	form	NOUN
eurjchem-2484	6	15	:	:	PUNCT
eurjchem-2484	6	16	10	10	NUM
eurjchem-2484	6	17	december	december	PROPN
eurjchem-2484	6	18	2023	2023	NUM
eurjchem-2484	6	19	accepted	accept	VERB
eurjchem-2484	6	20	:	:	PUNCT
eurjchem-2484	6	21	26	26	NUM
eurjchem-2484	6	22	december	december	PROPN
eurjchem-2484	6	23	2023	2023	NUM
eurjchem-2484	6	24	published	publish	VERB
eurjchem-2484	6	25	online	online	NOUN
eurjchem-2484	6	26	:	:	PUNCT
eurjchem-2484	6	27	31	31	NUM
eurjchem-2484	6	28	march	march	NOUN
eurjchem-2484	6	29	2024	2024	NUM
eurjchem-2484	6	30	printed	print	VERB
eurjchem-2484	6	31	:	:	PUNCT
eurjchem-2484	6	32	31	31	NUM
eurjchem-2484	6	33	march	march	NOUN
eurjchem-2484	6	34	2024	2024	NUM
eurjchem-2484	6	35	4	4	NUM
eurjchem-2484	6	36	-	-	PUNCT
eurjchem-2484	6	37	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	6	38	dihydrogen	dihydrogen	NOUN
eurjchem-2484	6	39	phosphate	phosphate	NOUN
eurjchem-2484	6	40	monohydrate	monohydrate	NOUN
eurjchem-2484	6	41	(	(	PUNCT
eurjchem-2484	6	42	4	4	NUM
eurjchem-2484	6	43	-	-	PUNCT
eurjchem-2484	6	44	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	6	45	)	)	PUNCT
eurjchem-2484	6	46	,	,	PUNCT
eurjchem-2484	6	47	an	an	DET
eurjchem-2484	6	48	organophosphate	organophosphate	NOUN
eurjchem-2484	6	49	adduct	adduct	NOUN
eurjchem-2484	6	50	,	,	PUNCT
eurjchem-2484	6	51	was	be	AUX
eurjchem-2484	6	52	synthesized	synthesize	VERB
eurjchem-2484	6	53	and	and	CCONJ
eurjchem-2484	6	54	characterized	characterize	VERB
eurjchem-2484	6	55	by	by	ADP
eurjchem-2484	6	56	single	single	ADJ
eurjchem-2484	6	57	-	-	PUNCT
eurjchem-2484	6	58	crystal	crystal	NOUN
eurjchem-2484	6	59	x	x	ADJ
eurjchem-2484	6	60	-	-	NOUN
eurjchem-2484	6	61	ray	ray	NOUN
eurjchem-2484	6	62	diffraction	diffraction	NOUN
eurjchem-2484	6	63	,	,	PUNCT
eurjchem-2484	6	64	fourier	fourier	NOUN
eurjchem-2484	6	65	transform	transform	VERB
eurjchem-2484	6	66	infrared	infrared	ADJ
eurjchem-2484	6	67	(	(	PUNCT
eurjchem-2484	6	68	ftir	ftir	PROPN
eurjchem-2484	6	69	)	)	PUNCT
eurjchem-2484	6	70	,	,	PUNCT
eurjchem-2484	6	71	differential	differential	NOUN
eurjchem-2484	6	72	scanning	scanning	NOUN
eurjchem-2484	6	73	calorimetry	calorimetry	NOUN
eurjchem-2484	6	74	(	(	PUNCT
eurjchem-2484	6	75	dsc	dsc	NOUN
eurjchem-2484	6	76	)	)	PUNCT
eurjchem-2484	6	77	and	and	CCONJ
eurjchem-2484	6	78	computational	computational	ADJ
eurjchem-2484	6	79	analysis	analysis	NOUN
eurjchem-2484	6	80	performed	perform	VERB
eurjchem-2484	6	81	using	use	VERB
eurjchem-2484	6	82	crystalexplorer	crystalexplorer	X
eurjchem-2484	6	83	21	21	NUM
eurjchem-2484	6	84	,	,	PUNCT
eurjchem-2484	6	85	gaussian	gaussian	ADJ
eurjchem-2484	6	86	09w	09w	NOUN
eurjchem-2484	6	87	and	and	CCONJ
eurjchem-2484	6	88	multiwfn	multiwfn	NOUN
eurjchem-2484	6	89	3.7	3.7	NUM
eurjchem-2484	6	90	software	software	NOUN
eurjchem-2484	6	91	.	.	PUNCT
eurjchem-2484	7	1	the	the	DET
eurjchem-2484	7	2	complex	complex	ADJ
eurjchem-2484	7	3	4	4	NUM
eurjchem-2484	7	4	-	-	PUNCT
eurjchem-2484	7	5	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	7	6	crystallized	crystallize	VERB
eurjchem-2484	7	7	in	in	ADP
eurjchem-2484	7	8	the	the	DET
eurjchem-2484	7	9	triclinic	triclinic	ADJ
eurjchem-2484	7	10	space	space	NOUN
eurjchem-2484	7	11	group	group	NOUN
eurjchem-2484	7	12	,	,	PUNCT
eurjchem-2484	7	13	p-1	p-1	NOUN
eurjchem-2484	7	14	,	,	PUNCT
eurjchem-2484	7	15	with	with	ADP
eurjchem-2484	7	16	two	two	NUM
eurjchem-2484	7	17	molecules	molecule	NOUN
eurjchem-2484	7	18	each	each	PRON
eurjchem-2484	7	19	of	of	ADP
eurjchem-2484	7	20	4	4	NUM
eurjchem-2484	7	21	-	-	PUNCT
eurjchem-2484	7	22	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	7	23	(	(	PUNCT
eurjchem-2484	7	24	4	4	NUM
eurjchem-2484	7	25	-	-	PUNCT
eurjchem-2484	7	26	ca	ca	NOUN
eurjchem-2484	7	27	)	)	PUNCT
eurjchem-2484	7	28	cations	cation	NOUN
eurjchem-2484	7	29	,	,	PUNCT
eurjchem-2484	7	30	h2po4	h2po4	NOUN
eurjchem-2484	7	31	–	–	PUNCT
eurjchem-2484	7	32	anions	anion	NOUN
eurjchem-2484	7	33	,	,	PUNCT
eurjchem-2484	7	34	and	and	CCONJ
eurjchem-2484	7	35	water	water	NOUN
eurjchem-2484	7	36	,	,	PUNCT
eurjchem-2484	7	37	respectively	respectively	ADV
eurjchem-2484	7	38	,	,	PUNCT
eurjchem-2484	7	39	in	in	ADP
eurjchem-2484	7	40	an	an	DET
eurjchem-2484	7	41	asymmetric	asymmetric	ADJ
eurjchem-2484	7	42	unit	unit	NOUN
eurjchem-2484	7	43	.	.	PUNCT
eurjchem-2484	8	1	crystal	crystal	NOUN
eurjchem-2484	8	2	data	data	PROPN
eurjchem-2484	8	3	for	for	ADP
eurjchem-2484	8	4	c7h12no7p	c7h12no7p	NOUN
eurjchem-2484	8	5	:	:	PUNCT
eurjchem-2484	8	6	triclinic	triclinic	ADJ
eurjchem-2484	8	7	,	,	PUNCT
eurjchem-2484	8	8	space	space	NOUN
eurjchem-2484	8	9	group	group	NOUN
eurjchem-2484	8	10	p-1	p-1	NOUN
eurjchem-2484	8	11	,	,	PUNCT
eurjchem-2484	8	12	a	a	DET
eurjchem-2484	8	13	=	=	NOUN
eurjchem-2484	8	14	8.5238(2	8.5238(2	NUM
eurjchem-2484	8	15	)	)	PUNCT
eurjchem-2484	9	1	å	å	PROPN
eurjchem-2484	9	2	,	,	PUNCT
eurjchem-2484	9	3	b	b	NOUN
eurjchem-2484	9	4	=	=	SYM
eurjchem-2484	9	5	8.9068(2	8.9068(2	NUM
eurjchem-2484	9	6	)	)	PUNCT
eurjchem-2484	9	7	å	å	NOUN
eurjchem-2484	9	8	,	,	PUNCT
eurjchem-2484	9	9	c	c	NOUN
eurjchem-2484	9	10	=	=	SYM
eurjchem-2484	9	11	14.4976(4	14.4976(4	NUM
eurjchem-2484	9	12	)	)	PUNCT
eurjchem-2484	9	13	å	å	PROPN
eurjchem-2484	9	14	,	,	PUNCT
eurjchem-2484	9	15	α	α	NOUN
eurjchem-2484	9	16	=	=	PUNCT
eurjchem-2484	9	17	106.456(2	106.456(2	NUM
eurjchem-2484	9	18	)	)	PUNCT
eurjchem-2484	9	19	°	°	PROPN
eurjchem-2484	9	20	,	,	PUNCT
eurjchem-2484	9	21	β	β	X
eurjchem-2484	9	22	=	=	SYM
eurjchem-2484	9	23	90.195(2	90.195(2	PROPN
eurjchem-2484	9	24	)	)	PUNCT
eurjchem-2484	9	25	°	°	PROPN
eurjchem-2484	9	26	,	,	PUNCT
eurjchem-2484	9	27	γ	γ	PROPN
eurjchem-2484	9	28	=	=	SYM
eurjchem-2484	9	29	92.811(2	92.811(2	NUM
eurjchem-2484	9	30	)	)	PUNCT
eurjchem-2484	9	31	°	°	NOUN
eurjchem-2484	9	32	,	,	PUNCT
eurjchem-2484	9	33	v	v	NOUN
eurjchem-2484	9	34	=	=	SYM
eurjchem-2484	9	35	1054.13(5	1054.13(5	NUM
eurjchem-2484	9	36	)	)	PUNCT
eurjchem-2484	9	37	å3	å3	NOUN
eurjchem-2484	9	38	,	,	PUNCT
eurjchem-2484	9	39	z	z	NOUN
eurjchem-2484	9	40	=	=	SYM
eurjchem-2484	9	41	4	4	NUM
eurjchem-2484	9	42	,	,	PUNCT
eurjchem-2484	9	43	t	t	NOUN
eurjchem-2484	9	44	=	=	SYM
eurjchem-2484	9	45	293	293	NUM
eurjchem-2484	9	46	k	k	NOUN
eurjchem-2484	9	47	,	,	PUNCT
eurjchem-2484	9	48	μ(cu	μ(cu	PROPN
eurjchem-2484	9	49	kα	kα	X
eurjchem-2484	9	50	)	)	PUNCT
eurjchem-2484	9	51	=	=	NUM
eurjchem-2484	9	52	2.587	2.587	NUM
eurjchem-2484	9	53	mm-1	mm-1	NOUN
eurjchem-2484	9	54	,	,	PUNCT
eurjchem-2484	9	55	dcalc	dcalc	NOUN
eurjchem-2484	9	56	=	=	PUNCT
eurjchem-2484	9	57	1.595	1.595	NUM
eurjchem-2484	9	58	g	g	NOUN
eurjchem-2484	9	59	/	/	SYM
eurjchem-2484	9	60	cm3	cm3	NOUN
eurjchem-2484	9	61	,	,	PUNCT
eurjchem-2484	9	62	18182	18182	NUM
eurjchem-2484	9	63	reflections	reflection	NOUN
eurjchem-2484	9	64	measured	measure	VERB
eurjchem-2484	9	65	(	(	PUNCT
eurjchem-2484	9	66	6.358	6.358	NUM
eurjchem-2484	9	67	°	°	NOUN
eurjchem-2484	9	68	≤	≤	NUM
eurjchem-2484	9	69	2θ	2θ	NUM
eurjchem-2484	9	70	≤	≤	NUM
eurjchem-2484	9	71	146.396	146.396	NUM
eurjchem-2484	9	72	°	°	NUM
eurjchem-2484	9	73	)	)	PUNCT
eurjchem-2484	9	74	,	,	PUNCT
eurjchem-2484	9	75	4149	4149	NUM
eurjchem-2484	9	76	unique	unique	ADJ
eurjchem-2484	9	77	(	(	PUNCT
eurjchem-2484	9	78	rint	rint	NOUN
eurjchem-2484	9	79	=	=	SYM
eurjchem-2484	9	80	0.1018	0.1018	NUM
eurjchem-2484	9	81	,	,	PUNCT
eurjchem-2484	9	82	rsigma	rsigma	VERB
eurjchem-2484	9	83	=	=	SYM
eurjchem-2484	9	84	0.0521	0.0521	NUM
eurjchem-2484	9	85	)	)	PUNCT
eurjchem-2484	9	86	which	which	PRON
eurjchem-2484	9	87	were	be	AUX
eurjchem-2484	9	88	used	use	VERB
eurjchem-2484	9	89	in	in	ADP
eurjchem-2484	9	90	all	all	DET
eurjchem-2484	9	91	calculations	calculation	NOUN
eurjchem-2484	9	92	.	.	PUNCT
eurjchem-2484	10	1	the	the	DET
eurjchem-2484	10	2	final	final	ADJ
eurjchem-2484	10	3	r1	r1	NOUN
eurjchem-2484	10	4	was	be	AUX
eurjchem-2484	10	5	0.0584	0.0584	NUM
eurjchem-2484	10	6	(	(	PUNCT
eurjchem-2484	10	7	i	i	X
eurjchem-2484	10	8	>	>	X
eurjchem-2484	10	9	2σ(i	2σ(i	NUM
eurjchem-2484	10	10	)	)	PUNCT
eurjchem-2484	10	11	)	)	PUNCT
eurjchem-2484	11	1	and	and	CCONJ
eurjchem-2484	11	2	wr2	wr2	PROPN
eurjchem-2484	11	3	was	be	AUX
eurjchem-2484	11	4	0.1712	0.1712	NUM
eurjchem-2484	11	5	(	(	PUNCT
eurjchem-2484	11	6	all	all	DET
eurjchem-2484	11	7	data	datum	NOUN
eurjchem-2484	11	8	)	)	PUNCT
eurjchem-2484	11	9	.	.	PUNCT
eurjchem-2484	12	1	the	the	DET
eurjchem-2484	12	2	organic	organic	ADJ
eurjchem-2484	12	3	layer	layer	NOUN
eurjchem-2484	12	4	containing	contain	VERB
eurjchem-2484	12	5	4	4	NUM
eurjchem-2484	12	6	-	-	PUNCT
eurjchem-2484	12	7	ca	ca	NOUN
eurjchem-2484	12	8	cations	cation	NOUN
eurjchem-2484	12	9	and	and	CCONJ
eurjchem-2484	12	10	the	the	DET
eurjchem-2484	12	11	inorganic	inorganic	ADJ
eurjchem-2484	12	12	layer	layer	NOUN
eurjchem-2484	12	13	containing	contain	VERB
eurjchem-2484	12	14	phosphate	phosphate	ADJ
eurjchem-2484	12	15	anions	anion	NOUN
eurjchem-2484	12	16	and	and	CCONJ
eurjchem-2484	12	17	water	water	NOUN
eurjchem-2484	12	18	molecules	molecule	NOUN
eurjchem-2484	12	19	in	in	ADP
eurjchem-2484	12	20	4	4	NUM
eurjchem-2484	12	21	-	-	PUNCT
eurjchem-2484	12	22	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	12	23	crystals	crystal	NOUN
eurjchem-2484	12	24	are	be	AUX
eurjchem-2484	12	25	connected	connect	VERB
eurjchem-2484	12	26	through	through	ADP
eurjchem-2484	12	27	a	a	DET
eurjchem-2484	12	28	three	three	NUM
eurjchem-2484	12	29	-	-	PUNCT
eurjchem-2484	12	30	dimensional	dimensional	ADJ
eurjchem-2484	12	31	network	network	NOUN
eurjchem-2484	12	32	of	of	ADP
eurjchem-2484	12	33	strong	strong	ADJ
eurjchem-2484	12	34	charge	charge	NOUN
eurjchem-2484	12	35	-	-	PUNCT
eurjchem-2484	12	36	assisted	assist	VERB
eurjchem-2484	12	37	n	n	CCONJ
eurjchem-2484	12	38	–	–	PUNCT
eurjchem-2484	12	39	h···o	h···o	PROPN
eurjchem-2484	12	40	and	and	CCONJ
eurjchem-2484	12	41	c	c	NOUN
eurjchem-2484	12	42	-	-	PUNCT
eurjchem-2484	12	43	oh···o	oh···o	NOUN
eurjchem-2484	12	44	hydrogen	hydrogen	NOUN
eurjchem-2484	12	45	bonds	bond	NOUN
eurjchem-2484	12	46	.	.	PUNCT
eurjchem-2484	13	1	the	the	DET
eurjchem-2484	13	2	fingerprint	fingerprint	NOUN
eurjchem-2484	13	3	plot	plot	NOUN
eurjchem-2484	13	4	of	of	ADP
eurjchem-2484	13	5	4	4	NUM
eurjchem-2484	13	6	-	-	PUNCT
eurjchem-2484	13	7	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	13	8	obtained	obtain	VERB
eurjchem-2484	13	9	indicated	indicate	VERB
eurjchem-2484	13	10	that	that	SCONJ
eurjchem-2484	13	11	the	the	DET
eurjchem-2484	13	12	most	most	ADV
eurjchem-2484	13	13	prominent	prominent	ADJ
eurjchem-2484	13	14	interaction	interaction	NOUN
eurjchem-2484	13	15	corresponds	correspond	VERB
eurjchem-2484	13	16	to	to	ADP
eurjchem-2484	13	17	the	the	DET
eurjchem-2484	13	18	short	short	ADJ
eurjchem-2484	13	19	o···h	o···h	NOUN
eurjchem-2484	13	20	contact	contact	NOUN
eurjchem-2484	13	21	,	,	PUNCT
eurjchem-2484	13	22	followed	follow	VERB
eurjchem-2484	13	23	by	by	ADP
eurjchem-2484	13	24	the	the	DET
eurjchem-2484	13	25	h···h	h···h	PROPN
eurjchem-2484	13	26	and	and	CCONJ
eurjchem-2484	13	27	h···c	h···c	PROPN
eurjchem-2484	13	28	contacts	contact	NOUN
eurjchem-2484	13	29	.	.	PUNCT
eurjchem-2484	14	1	the	the	DET
eurjchem-2484	14	2	intermolecular	intermolecular	ADJ
eurjchem-2484	14	3	interaction	interaction	NOUN
eurjchem-2484	14	4	topology	topology	NOUN
eurjchem-2484	14	5	of	of	ADP
eurjchem-2484	14	6	4	4	NUM
eurjchem-2484	14	7	-	-	PUNCT
eurjchem-2484	14	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	14	9	has	have	AUX
eurjchem-2484	14	10	been	be	AUX
eurjchem-2484	14	11	quantitatively	quantitatively	ADV
eurjchem-2484	14	12	analyzed	analyze	VERB
eurjchem-2484	14	13	.	.	PUNCT
eurjchem-2484	15	1	the	the	DET
eurjchem-2484	15	2	4	4	NUM
eurjchem-2484	15	3	-	-	PUNCT
eurjchem-2484	15	4	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	15	5	complex	complex	NOUN
eurjchem-2484	15	6	was	be	AUX
eurjchem-2484	15	7	optimized	optimize	VERB
eurjchem-2484	15	8	by	by	ADP
eurjchem-2484	15	9	density	density	NOUN
eurjchem-2484	15	10	functional	functional	ADJ
eurjchem-2484	15	11	theory	theory	NOUN
eurjchem-2484	15	12	(	(	PUNCT
eurjchem-2484	15	13	dft	dft	PROPN
eurjchem-2484	15	14	)	)	PUNCT
eurjchem-2484	15	15	with	with	ADP
eurjchem-2484	15	16	b3lyp/6	b3lyp/6	PROPN
eurjchem-2484	15	17	-	-	SYM
eurjchem-2484	15	18	31	31	NUM
eurjchem-2484	15	19	g	g	NOUN
eurjchem-2484	15	20	basis	basis	NOUN
eurjchem-2484	15	21	set	set	NOUN
eurjchem-2484	15	22	and	and	CCONJ
eurjchem-2484	15	23	the	the	DET
eurjchem-2484	15	24	theoretical	theoretical	ADJ
eurjchem-2484	15	25	ir	ir	PROPN
eurjchem-2484	15	26	vibrational	vibrational	PROPN
eurjchem-2484	15	27	spectra	spectra	PROPN
eurjchem-2484	15	28	determined	determine	VERB
eurjchem-2484	15	29	.	.	PUNCT
eurjchem-2484	16	1	the	the	DET
eurjchem-2484	16	2	noncovalent	noncovalent	NOUN
eurjchem-2484	16	3	interaction	interaction	NOUN
eurjchem-2484	16	4	(	(	PUNCT
eurjchem-2484	16	5	nci	nci	PROPN
eurjchem-2484	16	6	)	)	PUNCT
eurjchem-2484	16	7	and	and	CCONJ
eurjchem-2484	16	8	quantum	quantum	NOUN
eurjchem-2484	16	9	theory	theory	NOUN
eurjchem-2484	16	10	of	of	ADP
eurjchem-2484	16	11	the	the	DET
eurjchem-2484	16	12	atom	atom	NOUN
eurjchem-2484	16	13	in	in	ADP
eurjchem-2484	16	14	the	the	DET
eurjchem-2484	16	15	molecule	molecule	NOUN
eurjchem-2484	16	16	(	(	PUNCT
eurjchem-2484	16	17	qtaim	qtaim	NOUN
eurjchem-2484	16	18	)	)	PUNCT
eurjchem-2484	16	19	analysis	analysis	NOUN
eurjchem-2484	16	20	were	be	AUX
eurjchem-2484	16	21	done	do	VERB
eurjchem-2484	16	22	using	use	VERB
eurjchem-2484	16	23	multiwfn	multiwfn	PROPN
eurjchem-2484	16	24	3.7	3.7	NUM
eurjchem-2484	16	25	software	software	NOUN
eurjchem-2484	16	26	.	.	PUNCT
eurjchem-2484	17	1	4	4	NUM
eurjchem-2484	17	2	-	-	PUNCT
eurjchem-2484	17	3	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	17	4	complex	complex	ADJ
eurjchem-2484	17	5	structure	structure	NOUN
eurjchem-2484	17	6	and	and	CCONJ
eurjchem-2484	17	7	its	its	PRON
eurjchem-2484	17	8	computational	computational	ADJ
eurjchem-2484	17	9	analysis	analysis	NOUN
eurjchem-2484	17	10	are	be	AUX
eurjchem-2484	17	11	also	also	ADV
eurjchem-2484	17	12	compared	compare	VERB
eurjchem-2484	17	13	with	with	ADP
eurjchem-2484	17	14	that	that	PRON
eurjchem-2484	17	15	of	of	ADP
eurjchem-2484	17	16	4	4	NUM
eurjchem-2484	17	17	-	-	PUNCT
eurjchem-2484	17	18	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	17	19	dihydrogen	dihydrogen	NOUN
eurjchem-2484	17	20	phosphate	phosphate	NOUN
eurjchem-2484	17	21	(	(	PUNCT
eurjchem-2484	17	22	4	4	NUM
eurjchem-2484	17	23	-	-	PUNCT
eurjchem-2484	17	24	cah2po4	cah2po4	NOUN
eurjchem-2484	17	25	)	)	PUNCT
eurjchem-2484	17	26	.	.	PUNCT
eurjchem-2484	18	1	dsc	dsc	PROPN
eurjchem-2484	18	2	ftir	ftir	PROPN
eurjchem-2484	18	3	dft	dft	PROPN
eurjchem-2484	18	4	x	x	PROPN
eurjchem-2484	18	5	-	-	NOUN
eurjchem-2484	18	6	ray	ray	NOUN
eurjchem-2484	18	7	diffraction	diffraction	NOUN
eurjchem-2484	18	8	single	single	ADJ
eurjchem-2484	18	9	crystal	crystal	NOUN
eurjchem-2484	18	10	structure	structure	NOUN
eurjchem-2484	18	11	4	4	NUM
eurjchem-2484	18	12	-	-	PUNCT
eurjchem-2484	18	13	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	18	14	dihydrogen	dihydrogen	NOUN
eurjchem-2484	18	15	phosphate	phosphate	NOUN
eurjchem-2484	18	16	monohydrate	monohydrate	NOUN
eurjchem-2484	18	17	cite	cite	VERB
eurjchem-2484	18	18	this	this	PRON
eurjchem-2484	18	19	:	:	PUNCT
eurjchem-2484	18	20	eur	eur	PROPN
eurjchem-2484	18	21	.	.	PUNCT
eurjchem-2484	19	1	j.	j.	PROPN
eurjchem-2484	19	2	chem	chem	PROPN
eurjchem-2484	19	3	.	.	PUNCT
eurjchem-2484	20	1	2024	2024	NUM
eurjchem-2484	20	2	,	,	PUNCT
eurjchem-2484	20	3	15(1	15(1	NUM
eurjchem-2484	20	4	)	)	PUNCT
eurjchem-2484	20	5	,	,	PUNCT
eurjchem-2484	20	6	1	1	NUM
eurjchem-2484	20	7	-	-	SYM
eurjchem-2484	20	8	16	16	NUM
eurjchem-2484	20	9	journal	journal	NOUN
eurjchem-2484	20	10	website	website	NOUN
eurjchem-2484	20	11	:	:	PUNCT
eurjchem-2484	20	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2484	20	13	1	1	X
eurjchem-2484	20	14	.	.	X
eurjchem-2484	20	15	introduction	introduction	NOUN
eurjchem-2484	20	16	the	the	DET
eurjchem-2484	20	17	organic	organic	ADJ
eurjchem-2484	20	18	-	-	PUNCT
eurjchem-2484	20	19	inorganic	inorganic	ADJ
eurjchem-2484	20	20	hybrid	hybrid	NOUN
eurjchem-2484	20	21	compounds	compound	NOUN
eurjchem-2484	20	22	due	due	ADP
eurjchem-2484	20	23	to	to	ADP
eurjchem-2484	20	24	their	their	PRON
eurjchem-2484	20	25	interesting	interesting	ADJ
eurjchem-2484	20	26	properties	property	NOUN
eurjchem-2484	20	27	and	and	CCONJ
eurjchem-2484	20	28	potential	potential	ADJ
eurjchem-2484	20	29	applications	application	NOUN
eurjchem-2484	20	30	such	such	ADJ
eurjchem-2484	20	31	as	as	ADP
eurjchem-2484	20	32	electric	electric	ADJ
eurjchem-2484	20	33	,	,	PUNCT
eurjchem-2484	20	34	magnetic	magnetic	ADJ
eurjchem-2484	20	35	,	,	PUNCT
eurjchem-2484	20	36	non	non	ADJ
eurjchem-2484	20	37	-	-	ADJ
eurjchem-2484	20	38	linear	linear	ADJ
eurjchem-2484	20	39	optical	optical	ADJ
eurjchem-2484	20	40	,	,	PUNCT
eurjchem-2484	20	41	ferroelectric	ferroelectric	ADJ
eurjchem-2484	20	42	,	,	PUNCT
eurjchem-2484	20	43	and	and	CCONJ
eurjchem-2484	20	44	catalytic	catalytic	ADJ
eurjchem-2484	20	45	properties	property	NOUN
eurjchem-2484	20	46	have	have	AUX
eurjchem-2484	20	47	attracted	attract	VERB
eurjchem-2484	20	48	the	the	DET
eurjchem-2484	20	49	scientific	scientific	ADJ
eurjchem-2484	20	50	community	community	NOUN
eurjchem-2484	21	1	[	[	X
eurjchem-2484	21	2	1	1	NUM
eurjchem-2484	21	3	-	-	SYM
eurjchem-2484	21	4	3	3	NUM
eurjchem-2484	21	5	]	]	PUNCT
eurjchem-2484	21	6	.	.	PUNCT
eurjchem-2484	22	1	the	the	DET
eurjchem-2484	22	2	organic	organic	ADJ
eurjchem-2484	22	3	-	-	PUNCT
eurjchem-2484	22	4	inorganic	inorganic	ADJ
eurjchem-2484	22	5	hybrid	hybrid	NOUN
eurjchem-2484	22	6	compounds	compound	NOUN
eurjchem-2484	22	7	have	have	VERB
eurjchem-2484	22	8	the	the	DET
eurjchem-2484	22	9	combined	combine	VERB
eurjchem-2484	22	10	properties	property	NOUN
eurjchem-2484	22	11	of	of	ADP
eurjchem-2484	22	12	organic	organic	ADJ
eurjchem-2484	22	13	and	and	CCONJ
eurjchem-2484	22	14	inorganic	inorganic	ADJ
eurjchem-2484	22	15	compounds	compound	NOUN
eurjchem-2484	22	16	within	within	ADP
eurjchem-2484	22	17	one	one	NUM
eurjchem-2484	22	18	single	single	ADJ
eurjchem-2484	22	19	compound	compound	NOUN
eurjchem-2484	22	20	,	,	PUNCT
eurjchem-2484	22	21	giving	give	VERB
eurjchem-2484	22	22	rise	rise	NOUN
eurjchem-2484	22	23	to	to	ADP
eurjchem-2484	22	24	interesting	interesting	ADJ
eurjchem-2484	22	25	crystal	crystal	NOUN
eurjchem-2484	22	26	structures	structure	NOUN
eurjchem-2484	22	27	and	and	CCONJ
eurjchem-2484	22	28	properties	property	NOUN
eurjchem-2484	22	29	.	.	PUNCT
eurjchem-2484	23	1	the	the	DET
eurjchem-2484	23	2	different	different	ADJ
eurjchem-2484	23	3	components	component	NOUN
eurjchem-2484	23	4	of	of	ADP
eurjchem-2484	23	5	these	these	DET
eurjchem-2484	23	6	hybrid	hybrid	ADJ
eurjchem-2484	23	7	crystals	crystal	NOUN
eurjchem-2484	23	8	are	be	AUX
eurjchem-2484	23	9	held	hold	VERB
eurjchem-2484	23	10	together	together	ADV
eurjchem-2484	23	11	by	by	ADP
eurjchem-2484	23	12	a	a	DET
eurjchem-2484	23	13	strong	strong	ADJ
eurjchem-2484	23	14	hydrogen	hydrogen	NOUN
eurjchem-2484	23	15	bond	bond	NOUN
eurjchem-2484	23	16	,	,	PUNCT
eurjchem-2484	23	17	van	van	PROPN
eurjchem-2484	23	18	der	der	NOUN
eurjchem-2484	23	19	waals	waal	NOUN
eurjchem-2484	23	20	interaction	interaction	NOUN
eurjchem-2484	23	21	,	,	PUNCT
eurjchem-2484	23	22	and	and	CCONJ
eurjchem-2484	23	23	most	most	ADV
eurjchem-2484	23	24	likely	likely	ADJ
eurjchem-2484	23	25	electrostatic	electrostatic	ADJ
eurjchem-2484	23	26	interactions	interaction	NOUN
eurjchem-2484	23	27	.	.	PUNCT
eurjchem-2484	24	1	the	the	DET
eurjchem-2484	24	2	synthesis	synthesis	NOUN
eurjchem-2484	24	3	of	of	ADP
eurjchem-2484	24	4	cocrystals	cocrystal	NOUN
eurjchem-2484	24	5	of	of	ADP
eurjchem-2484	24	6	important	important	ADJ
eurjchem-2484	24	7	pharmaceutical	pharmaceutical	ADJ
eurjchem-2484	24	8	compounds	compound	NOUN
eurjchem-2484	24	9	has	have	AUX
eurjchem-2484	24	10	led	lead	VERB
eurjchem-2484	24	11	to	to	ADP
eurjchem-2484	24	12	a	a	DET
eurjchem-2484	24	13	significant	significant	ADJ
eurjchem-2484	24	14	improvement	improvement	NOUN
eurjchem-2484	24	15	in	in	ADP
eurjchem-2484	24	16	its	its	PRON
eurjchem-2484	24	17	solubility	solubility	NOUN
eurjchem-2484	24	18	and	and	CCONJ
eurjchem-2484	24	19	bioavailability	bioavailability	NOUN
eurjchem-2484	24	20	[	[	X
eurjchem-2484	24	21	4,5	4,5	NUM
eurjchem-2484	24	22	]	]	PUNCT
eurjchem-2484	24	23	.	.	PUNCT
eurjchem-2484	25	1	phosphate	phosphate	PROPN
eurjchem-2484	25	2	being	be	AUX
eurjchem-2484	25	3	biocompatible	biocompatible	ADJ
eurjchem-2484	25	4	,	,	PUNCT
eurjchem-2484	25	5	ionic	ionic	ADJ
eurjchem-2484	25	6	cocrystals	cocrystal	NOUN
eurjchem-2484	25	7	of	of	ADP
eurjchem-2484	25	8	organophosphates	organophosphate	NOUN
eurjchem-2484	25	9	have	have	AUX
eurjchem-2484	25	10	been	be	AUX
eurjchem-2484	25	11	used	use	VERB
eurjchem-2484	25	12	in	in	ADP
eurjchem-2484	25	13	drug	drug	NOUN
eurjchem-2484	25	14	products	product	NOUN
eurjchem-2484	25	15	.	.	PUNCT
eurjchem-2484	26	1	dihydrogen	dihydrogen	NOUN
eurjchem-2484	26	2	phosphate	phosphate	NOUN
eurjchem-2484	26	3	salt	salt	NOUN
eurjchem-2484	26	4	was	be	AUX
eurjchem-2484	26	5	found	find	VERB
eurjchem-2484	26	6	to	to	PART
eurjchem-2484	26	7	exhibit	exhibit	VERB
eurjchem-2484	26	8	superior	superior	ADJ
eurjchem-2484	26	9	stability	stability	NOUN
eurjchem-2484	26	10	compared	compare	VERB
eurjchem-2484	26	11	to	to	ADP
eurjchem-2484	26	12	its	its	PRON
eurjchem-2484	26	13	free	free	ADJ
eurjchem-2484	26	14	base	base	NOUN
eurjchem-2484	26	15	[	[	X
eurjchem-2484	26	16	6	6	NUM
eurjchem-2484	26	17	]	]	PUNCT
eurjchem-2484	26	18	.	.	PUNCT
eurjchem-2484	27	1	benali	benali	PROPN
eurjchem-2484	27	2	-	-	PUNCT
eurjchem-2484	27	3	cherif	cherif	PROPN
eurjchem-2484	27	4	et	et	PROPN
eurjchem-2484	27	5	al	al	PROPN
eurjchem-2484	27	6	.	.	PUNCT
eurjchem-2484	28	1	[	[	X
eurjchem-2484	28	2	7,8	7,8	NUM
eurjchem-2484	28	3	]	]	PUNCT
eurjchem-2484	28	4	has	have	AUX
eurjchem-2484	28	5	reported	report	VERB
eurjchem-2484	28	6	the	the	DET
eurjchem-2484	28	7	crystal	crystal	NOUN
eurjchem-2484	28	8	structure	structure	NOUN
eurjchem-2484	28	9	of	of	ADP
eurjchem-2484	28	10	p	p	NOUN
eurjchem-2484	28	11	-	-	PUNCT
eurjchem-2484	28	12	carboxyphenylammonium	carboxyphenylammonium	NOUN
eurjchem-2484	28	13	dihydrogenmonophosphate	dihydrogenmonophosphate	ADJ
eurjchem-2484	28	14	monohydrate	monohydrate	NOUN
eurjchem-2484	28	15	and	and	CCONJ
eurjchem-2484	28	16	4	4	NUM
eurjchem-2484	28	17	-	-	PUNCT
eurjchem-2484	28	18	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	28	19	dihydrogen	dihydrogen	NOUN
eurjchem-2484	28	20	phosphate	phosphate	NOUN
eurjchem-2484	28	21	,	,	PUNCT
eurjchem-2484	28	22	respectively	respectively	ADV
eurjchem-2484	28	23	.	.	PUNCT
eurjchem-2484	29	1	4	4	NUM
eurjchem-2484	29	2	-	-	PUNCT
eurjchem-2484	29	3	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	29	4	dihydrogen	dihydrogen	NOUN
eurjchem-2484	29	5	phosphate	phosphate	NOUN
eurjchem-2484	29	6	(	(	PUNCT
eurjchem-2484	29	7	4cah2po4	4cah2po4	NOUN
eurjchem-2484	29	8	)	)	PUNCT
eurjchem-2484	29	9	crystalizes	crystalize	VERB
eurjchem-2484	29	10	in	in	ADP
eurjchem-2484	29	11	space	space	NOUN
eurjchem-2484	29	12	group	group	NOUN
eurjchem-2484	29	13	monoclinic	monoclinic	NOUN
eurjchem-2484	29	14	,	,	PUNCT
eurjchem-2484	29	15	p21	p21	NOUN
eurjchem-2484	29	16	/	/	SYM
eurjchem-2484	29	17	n	n	CCONJ
eurjchem-2484	29	18	,	,	PUNCT
eurjchem-2484	29	19	z	z	NOUN
eurjchem-2484	29	20	=	=	SYM
eurjchem-2484	29	21	4	4	NUM
eurjchem-2484	29	22	and	and	CCONJ
eurjchem-2484	29	23	the	the	DET
eurjchem-2484	29	24	asymmetric	asymmetric	ADJ
eurjchem-2484	29	25	unit	unit	NOUN
eurjchem-2484	29	26	contains	contain	VERB
eurjchem-2484	29	27	one	one	NUM
eurjchem-2484	29	28	4	4	NUM
eurjchem-2484	29	29	-	-	PUNCT
eurjchem-2484	29	30	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	29	31	cation	cation	NOUN
eurjchem-2484	29	32	and	and	CCONJ
eurjchem-2484	29	33	one	one	NUM
eurjchem-2484	29	34	dihydrogen	dihydrogen	NOUN
eurjchem-2484	29	35	phosphate	phosphate	NOUN
eurjchem-2484	29	36	anion	anion	NOUN
eurjchem-2484	30	1	[	[	X
eurjchem-2484	30	2	8	8	NUM
eurjchem-2484	30	3	]	]	PUNCT
eurjchem-2484	30	4	.	.	PUNCT
eurjchem-2484	31	1	in	in	ADP
eurjchem-2484	31	2	the	the	DET
eurjchem-2484	31	3	crystal	crystal	NOUN
eurjchem-2484	31	4	structure	structure	NOUN
eurjchem-2484	31	5	,	,	PUNCT
eurjchem-2484	31	6	each	each	DET
eurjchem-2484	31	7	p	p	NOUN
eurjchem-2484	31	8	-	-	PUNCT
eurjchem-2484	31	9	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	31	10	cation	cation	NOUN
eurjchem-2484	31	11	is	be	AUX
eurjchem-2484	31	12	connected	connect	VERB
eurjchem-2484	31	13	to	to	ADP
eurjchem-2484	31	14	five	five	NUM
eurjchem-2484	31	15	dihydrogen	dihydrogen	NOUN
eurjchem-2484	31	16	monophosphate	monophosphate	NOUN
eurjchem-2484	31	17	anions	anion	NOUN
eurjchem-2484	31	18	via	via	ADP
eurjchem-2484	31	19	hydrogen	hydrogen	NOUN
eurjchem-2484	31	20	bonds	bond	NOUN
eurjchem-2484	31	21	.	.	PUNCT
eurjchem-2484	32	1	as	as	SCONJ
eurjchem-2484	32	2	expected	expect	VERB
eurjchem-2484	32	3	,	,	PUNCT
eurjchem-2484	32	4	the	the	DET
eurjchem-2484	32	5	o	o	NOUN
eurjchem-2484	32	6	atoms	atom	NOUN
eurjchem-2484	32	7	of	of	ADP
eurjchem-2484	32	8	h2po4	h2po4	NOUN
eurjchem-2484	32	9	–	–	PUNCT
eurjchem-2484	32	10	act	act	NOUN
eurjchem-2484	32	11	as	as	ADP
eurjchem-2484	32	12	proton	proton	NOUN
eurjchem-2484	32	13	acceptors	acceptor	NOUN
eurjchem-2484	32	14	or	or	CCONJ
eurjchem-2484	32	15	as	as	ADP
eurjchem-2484	32	16	proton	proton	NOUN
eurjchem-2484	32	17	donors	donor	NOUN
eurjchem-2484	32	18	,	,	PUNCT
eurjchem-2484	32	19	giving	give	VERB
eurjchem-2484	32	20	rise	rise	NOUN
eurjchem-2484	32	21	to	to	ADP
eurjchem-2484	32	22	a	a	DET
eurjchem-2484	32	23	three	three	NUM
eurjchem-2484	32	24	-	-	PUNCT
eurjchem-2484	32	25	dimensional	dimensional	ADJ
eurjchem-2484	32	26	network	network	NOUN
eurjchem-2484	32	27	.	.	PUNCT
eurjchem-2484	33	1	the	the	DET
eurjchem-2484	33	2	h2po4	h2po4	ADJ
eurjchem-2484	33	3	tetrahedra	tetrahedron	NOUN
eurjchem-2484	33	4	are	be	AUX
eurjchem-2484	33	5	linked	link	VERB
eurjchem-2484	33	6	together	together	ADV
eurjchem-2484	33	7	in	in	ADP
eurjchem-2484	33	8	pairs	pair	NOUN
eurjchem-2484	33	9	by	by	ADP
eurjchem-2484	33	10	strong	strong	ADJ
eurjchem-2484	33	11	o	o	ADJ
eurjchem-2484	33	12	-	-	ADJ
eurjchem-2484	33	13	h···o	h···o	PROPN
eurjchem-2484	33	14	hydrogen	hydrogen	NOUN
eurjchem-2484	33	15	bonds	bond	NOUN
eurjchem-2484	33	16	.	.	PUNCT
eurjchem-2484	34	1	thus	thus	ADV
eurjchem-2484	34	2	,	,	PUNCT
eurjchem-2484	34	3	the	the	DET
eurjchem-2484	34	4	three	three	NUM
eurjchem-2484	34	5	-	-	PUNCT
eurjchem-2484	34	6	dimensional	dimensional	ADJ
eurjchem-2484	34	7	hydrogen	hydrogen	NOUN
eurjchem-2484	34	8	bonding	bonding	NOUN
eurjchem-2484	34	9	framework	framework	NOUN
eurjchem-2484	34	10	stabilizes	stabilize	VERB
eurjchem-2484	34	11	the	the	DET
eurjchem-2484	34	12	crystal	crystal	NOUN
eurjchem-2484	34	13	structure	structure	NOUN
eurjchem-2484	34	14	of	of	ADP
eurjchem-2484	34	15	4cah2po4	4cah2po4	NUM
eurjchem-2484	34	16	.	.	PUNCT
eurjchem-2484	35	1	the	the	DET
eurjchem-2484	35	2	synthesis	synthesis	NOUN
eurjchem-2484	35	3	,	,	PUNCT
eurjchem-2484	35	4	characterization	characterization	NOUN
eurjchem-2484	35	5	,	,	PUNCT
eurjchem-2484	35	6	and	and	CCONJ
eurjchem-2484	35	7	computational	computational	ADJ
eurjchem-2484	35	8	analysis	analysis	NOUN
eurjchem-2484	35	9	of	of	ADP
eurjchem-2484	35	10	the	the	DET
eurjchem-2484	35	11	4	4	NUM
eurjchem-2484	35	12	-	-	PUNCT
eurjchem-2484	35	13	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	35	14	dihydrogen	dihydrogen	NOUN
eurjchem-2484	35	15	phosphate	phosphate	NOUN
eurjchem-2484	35	16	monohydrate	monohydrate	NOUN
eurjchem-2484	35	17	(	(	PUNCT
eurjchem-2484	35	18	4	4	NUM
eurjchem-2484	35	19	-	-	PUNCT
eurjchem-2484	35	20	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	35	21	)	)	PUNCT
eurjchem-2484	35	22	as	as	ADP
eurjchem-2484	35	23	an	an	DET
eurjchem-2484	35	24	organophosphate	organophosphate	NOUN
eurjchem-2484	35	25	adduct	adduct	NOUN
eurjchem-2484	35	26	is	be	AUX
eurjchem-2484	35	27	presented	present	VERB
eurjchem-2484	35	28	in	in	ADP
eurjchem-2484	35	29	this	this	DET
eurjchem-2484	35	30	article	article	NOUN
eurjchem-2484	35	31	.	.	PUNCT
eurjchem-2484	36	1	the	the	DET
eurjchem-2484	36	2	single	single	ADJ
eurjchem-2484	36	3	crystal	crystal	NOUN
eurjchem-2484	36	4	structure	structure	NOUN
eurjchem-2484	36	5	,	,	PUNCT
eurjchem-2484	36	6	thermal	thermal	ADJ
eurjchem-2484	36	7	parameters	parameter	NOUN
eurjchem-2484	36	8	,	,	PUNCT
eurjchem-2484	36	9	and	and	CCONJ
eurjchem-2484	36	10	vibrational	vibrational	ADJ
eurjchem-2484	36	11	frequency	frequency	NOUN
eurjchem-2484	36	12	of	of	ADP
eurjchem-2484	36	13	4	4	NUM
eurjchem-2484	36	14	-	-	PUNCT
eurjchem-2484	36	15	cah2po4·2h2o	cah2po4·2h2o	NOUN
eurjchem-2484	36	16	were	be	AUX
eurjchem-2484	36	17	determined	determine	VERB
eurjchem-2484	36	18	using	use	VERB
eurjchem-2484	36	19	single	single	ADJ
eurjchem-2484	36	20	crystal	crystal	NOUN
eurjchem-2484	36	21	x	x	PROPN
eurjchem-2484	36	22	-	-	NOUN
eurjchem-2484	36	23	ray	ray	NOUN
eurjchem-2484	36	24	diffraction	diffraction	NOUN
eurjchem-2484	36	25	,	,	PUNCT
eurjchem-2484	36	26	dsc	dsc	NOUN
eurjchem-2484	36	27	,	,	PUNCT
eurjchem-2484	36	28	and	and	CCONJ
eurjchem-2484	36	29	ftir	ftir	PROPN
eurjchem-2484	36	30	spectroscopy	spectroscopy	NOUN
eurjchem-2484	36	31	,	,	PUNCT
eurjchem-2484	36	32	respectively	respectively	ADV
eurjchem-2484	36	33	,	,	PUNCT
eurjchem-2484	36	34	and	and	CCONJ
eurjchem-2484	36	35	the	the	DET
eurjchem-2484	36	36	results	result	NOUN
eurjchem-2484	36	37	are	be	AUX
eurjchem-2484	36	38	reported	report	VERB
eurjchem-2484	36	39	.	.	PUNCT
eurjchem-2484	37	1	abstract	abstract	ADJ
eurjchem-2484	37	2	research	research	NOUN
eurjchem-2484	37	3	article	article	NOUN
eurjchem-2484	37	4	keywords	keyword	VERB
eurjchem-2484	37	5	https://dx.doi.org/10.5155/eurjchem.15.1.1-16.2484	https://dx.doi.org/10.5155/eurjchem.15.1.1-16.2484	NOUN
eurjchem-2484	37	6	https://www.eurjchem.com/	https://www.eurjchem.com/	VERB
eurjchem-2484	37	7	https://dx.doi.org/10.5155/eurjchem.15.1.1-16.2484	https://dx.doi.org/10.5155/eurjchem.15.1.1-16.2484	PROPN
eurjchem-2484	37	8	mailto:lata@barc.gov.in	mailto:lata@barc.gov.in	PROPN
eurjchem-2484	37	9	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-2484	37	10	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.15.1.1-16.2484&domain=pdf&date_stamp=2024-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.15.1.1-16.2484&domain=pdf&date_stamp=2024-03-31	PROPN
eurjchem-2484	37	11	2	2	NUM
eurjchem-2484	37	12	lata	lata	NOUN
eurjchem-2484	37	13	panicker	panicker	NOUN
eurjchem-2484	37	14	/	/	SYM
eurjchem-2484	37	15	european	european	PROPN
eurjchem-2484	37	16	journal	journal	PROPN
eurjchem-2484	37	17	of	of	ADP
eurjchem-2484	37	18	chemistry	chemistry	NOUN
eurjchem-2484	37	19	15	15	NUM
eurjchem-2484	37	20	(	(	PUNCT
eurjchem-2484	37	21	1	1	NUM
eurjchem-2484	37	22	)	)	PUNCT
eurjchem-2484	37	23	(	(	PUNCT
eurjchem-2484	37	24	2024	2024	NUM
eurjchem-2484	37	25	)	)	PUNCT
eurjchem-2484	37	26	1	1	NUM
eurjchem-2484	37	27	-	-	SYM
eurjchem-2484	37	28	16	16	NUM
eurjchem-2484	37	29	2024	2024	NUM
eurjchem-2484	37	30	–	–	PUNCT
eurjchem-2484	37	31	european	european	ADJ
eurjchem-2484	37	32	journal	journal	NOUN
eurjchem-2484	37	33	of	of	ADP
eurjchem-2484	37	34	chemistry	chemistry	NOUN
eurjchem-2484	37	35	–	–	PUNCT
eurjchem-2484	37	36	cc	cc	NOUN
eurjchem-2484	37	37	by	by	ADP
eurjchem-2484	37	38	nc	nc	PROPN
eurjchem-2484	37	39	–	–	PUNCT
eurjchem-2484	37	40	doi	doi	PROPN
eurjchem-2484	37	41	:	:	PUNCT
eurjchem-2484	37	42	10.5155	10.5155	NUM
eurjchem-2484	37	43	/	/	SYM
eurjchem-2484	37	44	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	37	45	-	-	SYM
eurjchem-2484	37	46	16.2484	16.2484	NUM
eurjchem-2484	37	47	table	table	NOUN
eurjchem-2484	37	48	1	1	NUM
eurjchem-2484	37	49	.	.	PUNCT
eurjchem-2484	37	50	crystal	crystal	NOUN
eurjchem-2484	37	51	data	datum	NOUN
eurjchem-2484	37	52	and	and	CCONJ
eurjchem-2484	37	53	structure	structure	NOUN
eurjchem-2484	37	54	refinement	refinement	NOUN
eurjchem-2484	37	55	parameters	parameter	NOUN
eurjchem-2484	37	56	for	for	ADP
eurjchem-2484	37	57	4	4	NUM
eurjchem-2484	37	58	-	-	PUNCT
eurjchem-2484	37	59	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	37	60	at	at	ADP
eurjchem-2484	37	61	293	293	NUM
eurjchem-2484	37	62	k.	k.	NOUN
eurjchem-2484	37	63	empirical	empirical	ADJ
eurjchem-2484	37	64	formula	formula	NOUN
eurjchem-2484	37	65	c7h12no7p	c7h12no7p	NOUN
eurjchem-2484	37	66	formula	formula	NOUN
eurjchem-2484	37	67	weight	weight	NOUN
eurjchem-2484	37	68	(	(	PUNCT
eurjchem-2484	37	69	g	g	NOUN
eurjchem-2484	37	70	/	/	SYM
eurjchem-2484	37	71	mol	mol	NOUN
eurjchem-2484	37	72	)	)	PUNCT
eurjchem-2484	37	73	253.15	253.15	NUM
eurjchem-2484	37	74	temperature	temperature	NOUN
eurjchem-2484	37	75	(	(	PUNCT
eurjchem-2484	37	76	k	k	NOUN
eurjchem-2484	37	77	)	)	PUNCT
eurjchem-2484	37	78	293	293	NUM
eurjchem-2484	37	79	crystal	crystal	NOUN
eurjchem-2484	37	80	system	system	NOUN
eurjchem-2484	37	81	triclinic	triclinic	ADJ
eurjchem-2484	37	82	space	space	NOUN
eurjchem-2484	37	83	group	group	NOUN
eurjchem-2484	37	84	p-1	p-1	NOUN
eurjchem-2484	37	85	a	a	PRON
eurjchem-2484	37	86	,	,	PUNCT
eurjchem-2484	37	87	(	(	PUNCT
eurjchem-2484	37	88	å	å	NOUN
eurjchem-2484	37	89	)	)	PUNCT
eurjchem-2484	37	90	8.5238(2	8.5238(2	NUM
eurjchem-2484	37	91	)	)	PUNCT
eurjchem-2484	37	92	b	b	NOUN
eurjchem-2484	37	93	,	,	PUNCT
eurjchem-2484	37	94	(	(	PUNCT
eurjchem-2484	37	95	å	å	NOUN
eurjchem-2484	37	96	)	)	PUNCT
eurjchem-2484	37	97	8.9068(2	8.9068(2	NUM
eurjchem-2484	37	98	)	)	PUNCT
eurjchem-2484	38	1	c	c	X
eurjchem-2484	38	2	,	,	PUNCT
eurjchem-2484	38	3	(	(	PUNCT
eurjchem-2484	38	4	å	å	NOUN
eurjchem-2484	38	5	)	)	PUNCT
eurjchem-2484	38	6	14.4976(4	14.4976(4	NUM
eurjchem-2484	38	7	)	)	PUNCT
eurjchem-2484	38	8	α	α	PROPN
eurjchem-2484	38	9	(	(	PUNCT
eurjchem-2484	38	10	°	°	PROPN
eurjchem-2484	38	11	)	)	PUNCT
eurjchem-2484	38	12	106.456(2	106.456(2	NUM
eurjchem-2484	38	13	)	)	PUNCT
eurjchem-2484	39	1	β	β	X
eurjchem-2484	39	2	(	(	PUNCT
eurjchem-2484	39	3	°	°	PROPN
eurjchem-2484	39	4	)	)	PUNCT
eurjchem-2484	39	5	90.195(2	90.195(2	NOUN
eurjchem-2484	39	6	)	)	PUNCT
eurjchem-2484	39	7	γ	γ	PROPN
eurjchem-2484	39	8	(	(	PUNCT
eurjchem-2484	39	9	°	°	PROPN
eurjchem-2484	39	10	)	)	PUNCT
eurjchem-2484	39	11	92.811(2	92.811(2	NUM
eurjchem-2484	39	12	)	)	PUNCT
eurjchem-2484	39	13	volume	volume	NOUN
eurjchem-2484	39	14	(	(	PUNCT
eurjchem-2484	39	15	å3	å3	PROPN
eurjchem-2484	39	16	)	)	PUNCT
eurjchem-2484	39	17	1054.13(5	1054.13(5	NUM
eurjchem-2484	39	18	)	)	PUNCT
eurjchem-2484	39	19	z	z	NOUN
eurjchem-2484	39	20	4	4	NUM
eurjchem-2484	39	21	ρcalc	ρcalc	NOUN
eurjchem-2484	39	22	(	(	PUNCT
eurjchem-2484	39	23	g	g	NOUN
eurjchem-2484	39	24	/	/	SYM
eurjchem-2484	39	25	cm3	cm3	NOUN
eurjchem-2484	39	26	)	)	PUNCT
eurjchem-2484	39	27	1.595	1.595	NUM
eurjchem-2484	39	28	μ	μ	NOUN
eurjchem-2484	39	29	(	(	PUNCT
eurjchem-2484	39	30	mm-1	mm-1	NOUN
eurjchem-2484	39	31	)	)	PUNCT
eurjchem-2484	39	32	2.587	2.587	NUM
eurjchem-2484	39	33	f(000	f(000	NOUN
eurjchem-2484	39	34	)	)	PUNCT
eurjchem-2484	39	35	528.0	528.0	NUM
eurjchem-2484	39	36	crystal	crystal	NOUN
eurjchem-2484	39	37	size	size	NOUN
eurjchem-2484	39	38	(	(	PUNCT
eurjchem-2484	39	39	mm3	mm3	PROPN
eurjchem-2484	39	40	)	)	PUNCT
eurjchem-2484	39	41	0.6	0.6	NUM
eurjchem-2484	39	42	×	×	NOUN
eurjchem-2484	40	1	0.4	0.4	NUM
eurjchem-2484	40	2	×	×	NOUN
eurjchem-2484	40	3	0.2	0.2	NUM
eurjchem-2484	40	4	radiation	radiation	NOUN
eurjchem-2484	40	5	cu	cu	NOUN
eurjchem-2484	41	1	kα	kα	PROPN
eurjchem-2484	42	1	(	(	PUNCT
eurjchem-2484	42	2	λ	λ	X
eurjchem-2484	42	3	=	=	NOUN
eurjchem-2484	42	4	1.54184	1.54184	NUM
eurjchem-2484	42	5	)	)	PUNCT
eurjchem-2484	42	6	2θ	2θ	NUM
eurjchem-2484	42	7	range	range	VERB
eurjchem-2484	42	8	for	for	ADP
eurjchem-2484	42	9	data	data	NOUN
eurjchem-2484	42	10	collection	collection	NOUN
eurjchem-2484	42	11	(	(	PUNCT
eurjchem-2484	42	12	°	°	ADP
eurjchem-2484	42	13	)	)	PUNCT
eurjchem-2484	42	14	6.358	6.358	NUM
eurjchem-2484	42	15	to	to	ADP
eurjchem-2484	42	16	146.396	146.396	NUM
eurjchem-2484	42	17	index	index	NOUN
eurjchem-2484	42	18	ranges	range	VERB
eurjchem-2484	42	19	-10	-10	PUNCT
eurjchem-2484	42	20	≤	≤	NUM
eurjchem-2484	42	21	h	h	NOUN
eurjchem-2484	42	22	≤	≤	NUM
eurjchem-2484	42	23	10	10	NUM
eurjchem-2484	42	24	,	,	PUNCT
eurjchem-2484	42	25	-11	-11	PUNCT
eurjchem-2484	42	26	≤	≤	NUM
eurjchem-2484	42	27	k	k	NOUN
eurjchem-2484	43	1	≤	≤	NUM
eurjchem-2484	43	2	10	10	NUM
eurjchem-2484	43	3	,	,	PUNCT
eurjchem-2484	43	4	-17	-17	PUNCT
eurjchem-2484	43	5	≤	≤	NUM
eurjchem-2484	43	6	l	l	NOUN
eurjchem-2484	43	7	≤	≤	NUM
eurjchem-2484	43	8	17	17	NUM
eurjchem-2484	43	9	reflections	reflection	NOUN
eurjchem-2484	43	10	collected	collect	VERB
eurjchem-2484	43	11	18182	18182	NUM
eurjchem-2484	43	12	independent	independent	ADJ
eurjchem-2484	43	13	reflections	reflection	NOUN
eurjchem-2484	43	14	4149	4149	NUM
eurjchem-2484	44	1	[	[	X
eurjchem-2484	44	2	rint	rint	NOUN
eurjchem-2484	44	3	=	=	SYM
eurjchem-2484	44	4	0.1018	0.1018	NUM
eurjchem-2484	44	5	,	,	PUNCT
eurjchem-2484	44	6	rsigma	rsigma	VERB
eurjchem-2484	44	7	=	=	PUNCT
eurjchem-2484	44	8	0.0521	0.0521	NUM
eurjchem-2484	44	9	]	]	PUNCT
eurjchem-2484	44	10	data	data	NOUN
eurjchem-2484	44	11	/	/	SYM
eurjchem-2484	44	12	restraints	restraint	NOUN
eurjchem-2484	44	13	/	/	SYM
eurjchem-2484	44	14	parameters	parameter	NOUN
eurjchem-2484	44	15	4149/0/304	4149/0/304	NUM
eurjchem-2484	44	16	goodness	goodness	NOUN
eurjchem-2484	44	17	-	-	PUNCT
eurjchem-2484	44	18	of	of	ADP
eurjchem-2484	44	19	-	-	PUNCT
eurjchem-2484	44	20	fit	fit	NOUN
eurjchem-2484	44	21	on	on	ADP
eurjchem-2484	44	22	f2	f2	PROPN
eurjchem-2484	44	23	1.061	1.061	NUM
eurjchem-2484	44	24	final	final	ADJ
eurjchem-2484	44	25	r	r	NOUN
eurjchem-2484	44	26	indexes	index	NOUN
eurjchem-2484	44	27	[	[	X
eurjchem-2484	44	28	i≥2σ	i≥2σ	X
eurjchem-2484	44	29	(	(	PUNCT
eurjchem-2484	44	30	i	i	NOUN
eurjchem-2484	44	31	)	)	PUNCT
eurjchem-2484	44	32	]	]	PUNCT
eurjchem-2484	45	1	r1	r1	PROPN
eurjchem-2484	45	2	=	=	SYM
eurjchem-2484	45	3	0.0584	0.0584	NUM
eurjchem-2484	45	4	,	,	PUNCT
eurjchem-2484	45	5	wr2	wr2	PROPN
eurjchem-2484	45	6	=	=	PUNCT
eurjchem-2484	45	7	0.1647	0.1647	NUM
eurjchem-2484	45	8	final	final	ADJ
eurjchem-2484	45	9	r	r	NOUN
eurjchem-2484	45	10	indexes	index	NOUN
eurjchem-2484	45	11	[	[	X
eurjchem-2484	45	12	all	all	DET
eurjchem-2484	45	13	data	datum	NOUN
eurjchem-2484	45	14	]	]	PUNCT
eurjchem-2484	45	15	r1	r1	PROPN
eurjchem-2484	45	16	=	=	SYM
eurjchem-2484	45	17	0.0624	0.0624	NUM
eurjchem-2484	45	18	,	,	PUNCT
eurjchem-2484	45	19	wr2	wr2	PROPN
eurjchem-2484	45	20	=	=	PROPN
eurjchem-2484	45	21	0.1712	0.1712	NUM
eurjchem-2484	45	22	largest	large	ADJ
eurjchem-2484	45	23	diff	diff	NOUN
eurjchem-2484	45	24	.	.	PUNCT
eurjchem-2484	45	25	peak	peak	PROPN
eurjchem-2484	45	26	/	/	SYM
eurjchem-2484	45	27	hole	hole	NOUN
eurjchem-2484	45	28	(	(	PUNCT
eurjchem-2484	45	29	e.å-3	e.å-3	PROPN
eurjchem-2484	45	30	)	)	PUNCT
eurjchem-2484	45	31	0.66/-0.43	0.66/-0.43	X
eurjchem-2484	45	32	o	o	NOUN
eurjchem-2484	46	1	oh	oh	INTJ
eurjchem-2484	46	2	h2n	h2n	PROPN
eurjchem-2484	47	1	p	p	X
eurjchem-2484	47	2	o	o	PROPN
eurjchem-2484	47	3	h2o	h2o	PROPN
eurjchem-2484	48	1	oh	oh	INTJ
eurjchem-2484	48	2	oh	oh	INTJ
eurjchem-2484	49	1	+	+	NOUN
eurjchem-2484	49	2	h3n	h3n	ADJ
eurjchem-2484	50	1	o	o	INTJ
eurjchem-2484	51	1	oh	oh	INTJ
eurjchem-2484	51	2	p	p	X
eurjchem-2484	52	1	o	o	INTJ
eurjchem-2484	53	1	oh	oh	INTJ
eurjchem-2484	53	2	oho	oho	INTJ
eurjchem-2484	54	1	h	h	NOUN
eurjchem-2484	54	2	o	o	NOUN
eurjchem-2484	54	3	h	h	NOUN
eurjchem-2484	55	1	+	+	CCONJ
eurjchem-2484	55	2	h2o	h2o	PROPN
eurjchem-2484	55	3	scheme	scheme	NOUN
eurjchem-2484	55	4	1	1	NUM
eurjchem-2484	55	5	.	.	PUNCT
eurjchem-2484	55	6	synthesis	synthesis	NOUN
eurjchem-2484	55	7	of	of	ADP
eurjchem-2484	55	8	4	4	NUM
eurjchem-2484	55	9	-	-	PUNCT
eurjchem-2484	55	10	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	55	11	dihydrogen	dihydrogen	NOUN
eurjchem-2484	55	12	phosphate	phosphate	NOUN
eurjchem-2484	55	13	monohydrate	monohydrate	NOUN
eurjchem-2484	55	14	(	(	PUNCT
eurjchem-2484	55	15	4	4	NUM
eurjchem-2484	55	16	-	-	PUNCT
eurjchem-2484	55	17	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	55	18	)	)	PUNCT
eurjchem-2484	55	19	.	.	PUNCT
eurjchem-2484	56	1	computational	computational	ADJ
eurjchem-2484	56	2	analysis	analysis	NOUN
eurjchem-2484	56	3	obtained	obtain	VERB
eurjchem-2484	56	4	using	use	VERB
eurjchem-2484	56	5	crystalexplorer	crystalexplorer	X
eurjchem-2484	56	6	21	21	NUM
eurjchem-2484	56	7	is	be	AUX
eurjchem-2484	56	8	also	also	ADV
eurjchem-2484	56	9	reported	report	VERB
eurjchem-2484	56	10	.	.	PUNCT
eurjchem-2484	57	1	density	density	NOUN
eurjchem-2484	57	2	functional	functional	ADJ
eurjchem-2484	57	3	theory	theory	NOUN
eurjchem-2484	57	4	(	(	PUNCT
eurjchem-2484	57	5	dft	dft	NOUN
eurjchem-2484	57	6	)	)	PUNCT
eurjchem-2484	57	7	calculation	calculation	NOUN
eurjchem-2484	57	8	of	of	ADP
eurjchem-2484	57	9	4	4	NUM
eurjchem-2484	57	10	-	-	PUNCT
eurjchem-2484	57	11	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	57	12	in	in	ADP
eurjchem-2484	57	13	gas	gas	NOUN
eurjchem-2484	57	14	phase	phase	NOUN
eurjchem-2484	57	15	was	be	AUX
eurjchem-2484	57	16	carried	carry	VERB
eurjchem-2484	57	17	out	out	ADP
eurjchem-2484	57	18	with	with	ADP
eurjchem-2484	57	19	the	the	DET
eurjchem-2484	57	20	b3lyp/631	b3lyp/631	NOUN
eurjchem-2484	57	21	g	g	PROPN
eurjchem-2484	57	22	basis	basis	NOUN
eurjchem-2484	57	23	set	set	NOUN
eurjchem-2484	57	24	.	.	PUNCT
eurjchem-2484	58	1	the	the	DET
eurjchem-2484	58	2	calculation	calculation	NOUN
eurjchem-2484	58	3	of	of	ADP
eurjchem-2484	58	4	noncovalent	noncovalent	NOUN
eurjchem-2484	58	5	interaction	interaction	NOUN
eurjchem-2484	58	6	(	(	PUNCT
eurjchem-2484	58	7	nci	nci	PROPN
eurjchem-2484	58	8	)	)	PUNCT
eurjchem-2484	58	9	and	and	CCONJ
eurjchem-2484	58	10	quantum	quantum	NOUN
eurjchem-2484	58	11	theory	theory	NOUN
eurjchem-2484	58	12	of	of	ADP
eurjchem-2484	58	13	atom	atom	NOUN
eurjchem-2484	58	14	in	in	ADP
eurjchem-2484	58	15	a	a	DET
eurjchem-2484	58	16	molecule	molecule	NOUN
eurjchem-2484	58	17	(	(	PUNCT
eurjchem-2484	58	18	qtaim	qtaim	NOUN
eurjchem-2484	58	19	)	)	PUNCT
eurjchem-2484	58	20	was	be	AUX
eurjchem-2484	58	21	done	do	VERB
eurjchem-2484	58	22	using	use	VERB
eurjchem-2484	58	23	multiwfn	multiwfn	PROPN
eurjchem-2484	58	24	3.7	3.7	NUM
eurjchem-2484	58	25	software	software	NOUN
eurjchem-2484	58	26	.	.	PUNCT
eurjchem-2484	59	1	4	4	NUM
eurjchem-2484	59	2	-	-	PUNCT
eurjchem-2484	59	3	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	59	4	complex	complex	ADJ
eurjchem-2484	59	5	structure	structure	NOUN
eurjchem-2484	59	6	and	and	CCONJ
eurjchem-2484	59	7	its	its	PRON
eurjchem-2484	59	8	computational	computational	ADJ
eurjchem-2484	59	9	analysis	analysis	NOUN
eurjchem-2484	59	10	are	be	AUX
eurjchem-2484	59	11	also	also	ADV
eurjchem-2484	59	12	compared	compare	VERB
eurjchem-2484	59	13	with	with	ADP
eurjchem-2484	59	14	that	that	PRON
eurjchem-2484	59	15	of	of	ADP
eurjchem-2484	59	16	4	4	NUM
eurjchem-2484	59	17	-	-	PUNCT
eurjchem-2484	59	18	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	59	19	dihydrogen	dihydrogen	NOUN
eurjchem-2484	59	20	phosphate	phosphate	NOUN
eurjchem-2484	59	21	(	(	PUNCT
eurjchem-2484	59	22	4	4	NUM
eurjchem-2484	59	23	-	-	PUNCT
eurjchem-2484	59	24	cah2po4	cah2po4	NOUN
eurjchem-2484	59	25	)	)	PUNCT
eurjchem-2484	59	26	.	.	PUNCT
eurjchem-2484	60	1	2	2	X
eurjchem-2484	60	2	.	.	X
eurjchem-2484	60	3	experimental	experimental	ADJ
eurjchem-2484	60	4	2.1	2.1	NUM
eurjchem-2484	60	5	.	.	PUNCT
eurjchem-2484	61	1	crystal	crystal	NOUN
eurjchem-2484	61	2	growth	growth	NOUN
eurjchem-2484	61	3	4	4	NUM
eurjchem-2484	61	4	-	-	PUNCT
eurjchem-2484	61	5	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	61	6	dihydrogen	dihydrogen	NOUN
eurjchem-2484	61	7	phosphate	phosphate	NOUN
eurjchem-2484	61	8	monohydrate	monohydrate	NOUN
eurjchem-2484	61	9	(	(	PUNCT
eurjchem-2484	61	10	4	4	NUM
eurjchem-2484	61	11	-	-	PUNCT
eurjchem-2484	61	12	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	61	13	)	)	PUNCT
eurjchem-2484	61	14	single	single	ADJ
eurjchem-2484	61	15	crystals	crystal	NOUN
eurjchem-2484	61	16	were	be	AUX
eurjchem-2484	61	17	obtained	obtain	VERB
eurjchem-2484	61	18	by	by	ADP
eurjchem-2484	61	19	slow	slow	ADJ
eurjchem-2484	61	20	evaporation	evaporation	NOUN
eurjchem-2484	61	21	of	of	ADP
eurjchem-2484	61	22	the	the	DET
eurjchem-2484	61	23	aqueous	aqueous	ADJ
eurjchem-2484	61	24	solution	solution	NOUN
eurjchem-2484	61	25	containing	contain	VERB
eurjchem-2484	61	26	,	,	PUNCT
eurjchem-2484	61	27	1:1	1:1	NUM
eurjchem-2484	61	28	molar	molar	ADJ
eurjchem-2484	61	29	ratio	ratio	NOUN
eurjchem-2484	61	30	of	of	ADP
eurjchem-2484	61	31	4	4	NUM
eurjchem-2484	61	32	-	-	PUNCT
eurjchem-2484	61	33	amino	amino	NOUN
eurjchem-2484	61	34	benzoic	benzoic	NOUN
eurjchem-2484	61	35	acid	acid	NOUN
eurjchem-2484	61	36	(	(	PUNCT
eurjchem-2484	61	37	4	4	NUM
eurjchem-2484	61	38	-	-	NUM
eurjchem-2484	61	39	aba	aba	NOUN
eurjchem-2484	61	40	)	)	PUNCT
eurjchem-2484	61	41	and	and	CCONJ
eurjchem-2484	61	42	phosphoric	phosphoric	NOUN
eurjchem-2484	61	43	acid	acid	NOUN
eurjchem-2484	61	44	(	(	PUNCT
eurjchem-2484	61	45	h3po4	h3po4	NOUN
eurjchem-2484	61	46	)	)	PUNCT
eurjchem-2484	61	47	(	(	PUNCT
eurjchem-2484	61	48	scheme	scheme	NOUN
eurjchem-2484	61	49	1	1	NUM
eurjchem-2484	61	50	)	)	PUNCT
eurjchem-2484	61	51	.	.	PUNCT
eurjchem-2484	62	1	the	the	DET
eurjchem-2484	62	2	clear	clear	ADJ
eurjchem-2484	62	3	solution	solution	NOUN
eurjchem-2484	62	4	obtained	obtain	VERB
eurjchem-2484	62	5	by	by	ADP
eurjchem-2484	62	6	dissolving	dissolve	VERB
eurjchem-2484	62	7	the	the	DET
eurjchem-2484	62	8	ingredient	ingredient	NOUN
eurjchem-2484	62	9	was	be	AUX
eurjchem-2484	62	10	left	leave	VERB
eurjchem-2484	62	11	undisturbed	undisturbed	ADJ
eurjchem-2484	62	12	at	at	ADP
eurjchem-2484	62	13	20	20	NUM
eurjchem-2484	62	14	°	°	NOUN
eurjchem-2484	62	15	c	c	NOUN
eurjchem-2484	62	16	.	.	PUNCT
eurjchem-2484	63	1	most	most	ADJ
eurjchem-2484	63	2	of	of	ADP
eurjchem-2484	63	3	the	the	DET
eurjchem-2484	63	4	time	time	NOUN
eurjchem-2484	63	5	,	,	PUNCT
eurjchem-2484	63	6	first	first	ADJ
eurjchem-2484	63	7	4	4	NUM
eurjchem-2484	63	8	-	-	PUNCT
eurjchem-2484	63	9	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	63	10	dihydrogen	dihydrogen	NOUN
eurjchem-2484	63	11	phosphate	phosphate	NOUN
eurjchem-2484	63	12	(	(	PUNCT
eurjchem-2484	63	13	4	4	NUM
eurjchem-2484	63	14	-	-	PUNCT
eurjchem-2484	63	15	cah2po4	cah2po4	NOUN
eurjchem-2484	63	16	)	)	PUNCT
eurjchem-2484	63	17	crystals	crystal	NOUN
eurjchem-2484	63	18	were	be	AUX
eurjchem-2484	63	19	obtained	obtain	VERB
eurjchem-2484	63	20	[	[	PUNCT
eurjchem-2484	63	21	8	8	NUM
eurjchem-2484	63	22	]	]	PUNCT
eurjchem-2484	63	23	.	.	PUNCT
eurjchem-2484	64	1	the	the	DET
eurjchem-2484	64	2	4	4	NUM
eurjchem-2484	64	3	-	-	PUNCT
eurjchem-2484	64	4	cah2po4	cah2po4	NOUN
eurjchem-2484	64	5	crystals	crystal	NOUN
eurjchem-2484	64	6	were	be	AUX
eurjchem-2484	64	7	removed	remove	VERB
eurjchem-2484	64	8	by	by	ADP
eurjchem-2484	64	9	filtering	filter	VERB
eurjchem-2484	64	10	and	and	CCONJ
eurjchem-2484	64	11	the	the	DET
eurjchem-2484	64	12	remaining	remain	VERB
eurjchem-2484	64	13	solution	solution	NOUN
eurjchem-2484	64	14	was	be	AUX
eurjchem-2484	64	15	left	leave	VERB
eurjchem-2484	64	16	undisturbed	undisturbed	ADJ
eurjchem-2484	64	17	.	.	PUNCT
eurjchem-2484	65	1	plate	plate	NOUN
eurjchem-2484	65	2	shaped	shape	VERB
eurjchem-2484	65	3	single	single	ADJ
eurjchem-2484	65	4	crystals	crystal	NOUN
eurjchem-2484	65	5	of	of	ADP
eurjchem-2484	65	6	4	4	NUM
eurjchem-2484	65	7	-	-	PUNCT
eurjchem-2484	65	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	65	9	were	be	AUX
eurjchem-2484	65	10	obtained	obtain	VERB
eurjchem-2484	65	11	.	.	PUNCT
eurjchem-2484	66	1	partially	partially	ADV
eurjchem-2484	66	2	deuterated	deuterate	VERB
eurjchem-2484	66	3	4	4	NUM
eurjchem-2484	66	4	-	-	PUNCT
eurjchem-2484	66	5	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	66	6	(	(	PUNCT
eurjchem-2484	66	7	i.e.	i.e.	X
eurjchem-2484	66	8	d4cah2po4.h2o	d4cah2po4.h2o	NOUN
eurjchem-2484	66	9	)	)	PUNCT
eurjchem-2484	66	10	and	and	CCONJ
eurjchem-2484	66	11	4	4	NUM
eurjchem-2484	66	12	-	-	NUM
eurjchem-2484	66	13	aba	aba	PROPN
eurjchem-2484	66	14	(	(	PUNCT
eurjchem-2484	66	15	i.e.	i.e.	X
eurjchem-2484	66	16	d4	d4	PROPN
eurjchem-2484	66	17	-	-	PUNCT
eurjchem-2484	66	18	aba	aba	PROPN
eurjchem-2484	66	19	)	)	PUNCT
eurjchem-2484	66	20	wear	wear	NOUN
eurjchem-2484	66	21	obtained	obtain	VERB
eurjchem-2484	66	22	by	by	ADP
eurjchem-2484	66	23	recrystallizing	recrystallize	VERB
eurjchem-2484	66	24	4	4	NUM
eurjchem-2484	66	25	-	-	PUNCT
eurjchem-2484	66	26	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	66	27	and	and	CCONJ
eurjchem-2484	66	28	4	4	NUM
eurjchem-2484	66	29	-	-	NUM
eurjchem-2484	66	30	aba	aba	NOUN
eurjchem-2484	66	31	,	,	PUNCT
eurjchem-2484	66	32	respectively	respectively	ADV
eurjchem-2484	66	33	,	,	PUNCT
eurjchem-2484	66	34	in	in	ADP
eurjchem-2484	66	35	d2o	d2o	NOUN
eurjchem-2484	66	36	at	at	ADV
eurjchem-2484	66	37	least	least	ADV
eurjchem-2484	66	38	three	three	NUM
eurjchem-2484	66	39	times	time	NOUN
eurjchem-2484	66	40	.	.	PUNCT
eurjchem-2484	67	1	in	in	ADP
eurjchem-2484	67	2	a	a	DET
eurjchem-2484	67	3	partially	partially	ADV
eurjchem-2484	67	4	deuterated	deuterate	VERB
eurjchem-2484	67	5	compound	compound	NOUN
eurjchem-2484	67	6	,	,	PUNCT
eurjchem-2484	67	7	hydrogen	hydrogen	NOUN
eurjchem-2484	67	8	atoms	atom	NOUN
eurjchem-2484	67	9	in	in	ADP
eurjchem-2484	67	10	the	the	DET
eurjchem-2484	67	11	-nh2	-nh2	PROPN
eurjchem-2484	67	12	,	,	PUNCT
eurjchem-2484	67	13	-nh3	-nh3	PUNCT
eurjchem-2484	67	14	+	+	ADJ
eurjchem-2484	67	15	,	,	PUNCT
eurjchem-2484	67	16	h2po4	h2po4	NOUN
eurjchem-2484	67	17	–	–	PUNCT
eurjchem-2484	67	18	and	and	CCONJ
eurjchem-2484	67	19	-cooh	-cooh	ADJ
eurjchem-2484	67	20	groups	group	NOUN
eurjchem-2484	67	21	were	be	AUX
eurjchem-2484	67	22	replaced	replace	VERB
eurjchem-2484	67	23	by	by	ADP
eurjchem-2484	67	24	deuterium	deuterium	NOUN
eurjchem-2484	67	25	atoms	atom	NOUN
eurjchem-2484	67	26	(	(	PUNCT
eurjchem-2484	67	27	-nd2	-nd2	PROPN
eurjchem-2484	67	28	,	,	PUNCT
eurjchem-2484	67	29	-nd3	-nd3	PROPN
eurjchem-2484	67	30	+	+	PROPN
eurjchem-2484	67	31	,	,	PUNCT
eurjchem-2484	67	32	d2po4	d2po4	NOUN
eurjchem-2484	67	33	–	–	PUNCT
eurjchem-2484	67	34	and	and	CCONJ
eurjchem-2484	67	35	-cood	-cood	NOUN
eurjchem-2484	67	36	)	)	PUNCT
eurjchem-2484	67	37	.	.	PUNCT
eurjchem-2484	68	1	almost	almost	ADV
eurjchem-2484	68	2	100	100	NUM
eurjchem-2484	68	3	%	%	NOUN
eurjchem-2484	68	4	partial	partial	ADJ
eurjchem-2484	68	5	deuteration	deuteration	NOUN
eurjchem-2484	68	6	of	of	ADP
eurjchem-2484	68	7	4	4	NUM
eurjchem-2484	68	8	-	-	PUNCT
eurjchem-2484	68	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	68	10	and	and	CCONJ
eurjchem-2484	68	11	4	4	NUM
eurjchem-2484	68	12	-	-	NUM
eurjchem-2484	68	13	aba	aba	PROPN
eurjchem-2484	68	14	was	be	AUX
eurjchem-2484	68	15	achieved	achieve	VERB
eurjchem-2484	68	16	,	,	PUNCT
eurjchem-2484	68	17	as	as	SCONJ
eurjchem-2484	68	18	confirmed	confirm	VERB
eurjchem-2484	68	19	by	by	ADP
eurjchem-2484	68	20	the	the	DET
eurjchem-2484	68	21	respective	respective	PROPN
eurjchem-2484	68	22	ftir	ftir	PROPN
eurjchem-2484	68	23	spectra	spectra	PROPN
eurjchem-2484	68	24	.	.	PROPN
eurjchem-2484	68	25	partially	partially	ADV
eurjchem-2484	68	26	deuterated	deuterate	VERB
eurjchem-2484	68	27	compounds	compound	NOUN
eurjchem-2484	68	28	were	be	AUX
eurjchem-2484	68	29	synthesized	synthesize	VERB
eurjchem-2484	68	30	for	for	ADP
eurjchem-2484	68	31	ftir	ftir	PROPN
eurjchem-2484	68	32	investigation	investigation	NOUN
eurjchem-2484	68	33	.	.	PUNCT
eurjchem-2484	69	1	ftir	ftir	PROPN
eurjchem-2484	69	2	spectra	spectra	PROPN
eurjchem-2484	69	3	of	of	ADP
eurjchem-2484	69	4	the	the	DET
eurjchem-2484	69	5	deuterated	deuterate	VERB
eurjchem-2484	69	6	compounds	compound	NOUN
eurjchem-2484	69	7	(	(	PUNCT
eurjchem-2484	69	8	d4aba	d4aba	NOUN
eurjchem-2484	69	9	and	and	CCONJ
eurjchem-2484	69	10	d4	d4	PROPN
eurjchem-2484	69	11	-	-	PUNCT
eurjchem-2484	69	12	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	69	13	)	)	PUNCT
eurjchem-2484	69	14	were	be	AUX
eurjchem-2484	69	15	useful	useful	ADJ
eurjchem-2484	69	16	in	in	ADP
eurjchem-2484	69	17	assigning	assign	VERB
eurjchem-2484	69	18	functional	functional	ADJ
eurjchem-2484	69	19	groups	group	NOUN
eurjchem-2484	69	20	(	(	PUNCT
eurjchem-2484	69	21	-nh2	-nh2	PROPN
eurjchem-2484	69	22	-nh3	-nh3	PUNCT
eurjchem-2484	69	23	+	+	ADJ
eurjchem-2484	69	24	,	,	PUNCT
eurjchem-2484	69	25	h2po4	h2po4	NOUN
eurjchem-2484	69	26	–	–	PUNCT
eurjchem-2484	69	27	and	and	CCONJ
eurjchem-2484	69	28	-cooh	-cooh	ADJ
eurjchem-2484	69	29	)	)	PUNCT
eurjchem-2484	69	30	in	in	ADP
eurjchem-2484	69	31	4	4	NUM
eurjchem-2484	69	32	-	-	PUNCT
eurjchem-2484	69	33	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	69	34	.	.	PUNCT
eurjchem-2484	70	1	2.2	2.2	NUM
eurjchem-2484	70	2	.	.	PUNCT
eurjchem-2484	71	1	single	single	ADJ
eurjchem-2484	71	2	-	-	PUNCT
eurjchem-2484	71	3	crystal	crystal	NOUN
eurjchem-2484	71	4	x	x	ADJ
eurjchem-2484	71	5	-	-	NOUN
eurjchem-2484	71	6	ray	ray	NOUN
eurjchem-2484	71	7	diffraction	diffraction	NOUN
eurjchem-2484	71	8	single	single	ADJ
eurjchem-2484	71	9	crystal	crystal	PROPN
eurjchem-2484	71	10	x	x	PROPN
eurjchem-2484	71	11	-	-	NOUN
eurjchem-2484	71	12	ray	ray	NOUN
eurjchem-2484	71	13	diffraction	diffraction	NOUN
eurjchem-2484	71	14	data	datum	NOUN
eurjchem-2484	71	15	were	be	AUX
eurjchem-2484	71	16	collected	collect	VERB
eurjchem-2484	71	17	at	at	ADP
eurjchem-2484	71	18	ambient	ambient	ADJ
eurjchem-2484	71	19	temperature	temperature	NOUN
eurjchem-2484	71	20	(	(	PUNCT
eurjchem-2484	71	21	293±2	293±2	NOUN
eurjchem-2484	71	22	k	k	NOUN
eurjchem-2484	71	23	)	)	PUNCT
eurjchem-2484	71	24	on	on	ADP
eurjchem-2484	71	25	an	an	DET
eurjchem-2484	71	26	agilent	agilent	PROPN
eurjchem-2484	71	27	super	super	PROPN
eurjchem-2484	71	28	nova	nova	PROPN
eurjchem-2484	71	29	diffractometer	diffractometer	PROPN
eurjchem-2484	71	30	equipped	equip	VERB
eurjchem-2484	71	31	with	with	ADP
eurjchem-2484	71	32	a	a	DET
eurjchem-2484	71	33	titan	titan	ADJ
eurjchem-2484	71	34	ccd	ccd	NOUN
eurjchem-2484	71	35	detector	detector	NOUN
eurjchem-2484	71	36	using	use	VERB
eurjchem-2484	71	37	a	a	DET
eurjchem-2484	71	38	microfocus	microfocus	NOUN
eurjchem-2484	71	39	x	x	NOUN
eurjchem-2484	71	40	-	-	NOUN
eurjchem-2484	71	41	ray	ray	NOUN
eurjchem-2484	71	42	source	source	NOUN
eurjchem-2484	71	43	,	,	PUNCT
eurjchem-2484	71	44	cukα	cukα	ADJ
eurjchem-2484	71	45	radiation	radiation	NOUN
eurjchem-2484	71	46	of	of	ADP
eurjchem-2484	71	47	wavelength	wavelength	NOUN
eurjchem-2484	72	1	1.54184	1.54184	NUM
eurjchem-2484	72	2	å	å	NOUN
eurjchem-2484	72	3	.	.	PUNCT
eurjchem-2484	72	4	diffraction	diffraction	NOUN
eurjchem-2484	72	5	data	datum	NOUN
eurjchem-2484	72	6	were	be	AUX
eurjchem-2484	72	7	collected	collect	VERB
eurjchem-2484	72	8	at	at	ADP
eurjchem-2484	72	9	a	a	DET
eurjchem-2484	72	10	crystal	crystal	NOUN
eurjchem-2484	72	11	-	-	PUNCT
eurjchem-2484	72	12	todetector	todetector	NOUN
eurjchem-2484	72	13	distance	distance	NOUN
eurjchem-2484	72	14	of	of	ADP
eurjchem-2484	72	15	61	61	NUM
eurjchem-2484	72	16	mm	mm	NOUN
eurjchem-2484	72	17	with	with	ADP
eurjchem-2484	72	18	scan	scan	ADJ
eurjchem-2484	72	19	width	width	PROPN
eurjchem-2484	72	20	(	(	PUNCT
eurjchem-2484	72	21	ω	ω	NOUN
eurjchem-2484	72	22	)	)	PUNCT
eurjchem-2484	72	23	1	1	NUM
eurjchem-2484	72	24	°	°	NUM
eurjchem-2484	72	25	oscillation	oscillation	NOUN
eurjchem-2484	72	26	per	per	ADP
eurjchem-2484	72	27	frame	frame	NOUN
eurjchem-2484	72	28	.	.	PUNCT
eurjchem-2484	73	1	data	datum	NOUN
eurjchem-2484	73	2	collection	collection	NOUN
eurjchem-2484	73	3	,	,	PUNCT
eurjchem-2484	73	4	indexing	indexing	NOUN
eurjchem-2484	73	5	,	,	PUNCT
eurjchem-2484	73	6	cell	cell	NOUN
eurjchem-2484	73	7	refinement	refinement	NOUN
eurjchem-2484	73	8	,	,	PUNCT
eurjchem-2484	73	9	data	datum	NOUN
eurjchem-2484	73	10	integration	integration	NOUN
eurjchem-2484	73	11	,	,	PUNCT
eurjchem-2484	73	12	and	and	CCONJ
eurjchem-2484	73	13	reduction	reduction	NOUN
eurjchem-2484	73	14	were	be	AUX
eurjchem-2484	73	15	carried	carry	VERB
eurjchem-2484	73	16	out	out	ADP
eurjchem-2484	73	17	using	use	VERB
eurjchem-2484	73	18	the	the	DET
eurjchem-2484	73	19	crysalispro	crysalispro	ADJ
eurjchem-2484	73	20	program	program	NOUN
eurjchem-2484	73	21	[	[	X
eurjchem-2484	73	22	9	9	NUM
eurjchem-2484	73	23	]	]	PUNCT
eurjchem-2484	73	24	.	.	PUNCT
eurjchem-2484	74	1	the	the	DET
eurjchem-2484	74	2	crystal	crystal	NOUN
eurjchem-2484	74	3	structure	structure	NOUN
eurjchem-2484	74	4	was	be	AUX
eurjchem-2484	74	5	solved	solve	VERB
eurjchem-2484	74	6	by	by	ADP
eurjchem-2484	74	7	the	the	DET
eurjchem-2484	74	8	direct	direct	ADJ
eurjchem-2484	74	9	method	method	NOUN
eurjchem-2484	74	10	using	use	VERB
eurjchem-2484	74	11	shelxt	shelxt	ADJ
eurjchem-2484	74	12	[	[	X
eurjchem-2484	74	13	10	10	NUM
eurjchem-2484	74	14	]	]	PUNCT
eurjchem-2484	74	15	,	,	PUNCT
eurjchem-2484	74	16	completed	complete	VERB
eurjchem-2484	74	17	by	by	ADP
eurjchem-2484	74	18	difference	difference	NOUN
eurjchem-2484	74	19	fourier	fourier	NOUN
eurjchem-2484	74	20	syntheses	synthesis	NOUN
eurjchem-2484	74	21	,	,	PUNCT
eurjchem-2484	74	22	and	and	CCONJ
eurjchem-2484	74	23	refined	refine	VERB
eurjchem-2484	74	24	by	by	ADP
eurjchem-2484	74	25	full	full	ADJ
eurjchem-2484	74	26	-	-	PUNCT
eurjchem-2484	74	27	matrix	matrix	NOUN
eurjchem-2484	74	28	least	least	ADJ
eurjchem-2484	74	29	squares	square	NOUN
eurjchem-2484	74	30	method	method	NOUN
eurjchem-2484	74	31	using	use	VERB
eurjchem-2484	74	32	shelxl	shelxl	NOUN
eurjchem-2484	75	1	[	[	X
eurjchem-2484	75	2	11	11	NUM
eurjchem-2484	75	3	]	]	PUNCT
eurjchem-2484	75	4	accessed	access	VERB
eurjchem-2484	75	5	by	by	ADP
eurjchem-2484	75	6	the	the	DET
eurjchem-2484	75	7	olex2	olex2	PROPN
eurjchem-2484	75	8	package	package	NOUN
eurjchem-2484	75	9	[	[	X
eurjchem-2484	75	10	12	12	NUM
eurjchem-2484	75	11	]	]	PUNCT
eurjchem-2484	75	12	.	.	PUNCT
eurjchem-2484	76	1	the	the	DET
eurjchem-2484	76	2	nonh	nonh	NOUN
eurjchem-2484	76	3	atoms	atom	NOUN
eurjchem-2484	76	4	were	be	AUX
eurjchem-2484	76	5	refined	refine	VERB
eurjchem-2484	76	6	anisotropically	anisotropically	ADV
eurjchem-2484	76	7	.	.	PUNCT
eurjchem-2484	77	1	hydrogen	hydrogen	NOUN
eurjchem-2484	77	2	atoms	atom	NOUN
eurjchem-2484	77	3	were	be	AUX
eurjchem-2484	77	4	fixed	fix	VERB
eurjchem-2484	77	5	in	in	ADP
eurjchem-2484	77	6	their	their	PRON
eurjchem-2484	77	7	calculated	calculate	VERB
eurjchem-2484	77	8	positions	position	NOUN
eurjchem-2484	77	9	.	.	PUNCT
eurjchem-2484	78	1	the	the	DET
eurjchem-2484	78	2	crystallographic	crystallographic	ADJ
eurjchem-2484	78	3	data	datum	NOUN
eurjchem-2484	78	4	and	and	CCONJ
eurjchem-2484	78	5	refinement	refinement	NOUN
eurjchem-2484	78	6	details	detail	NOUN
eurjchem-2484	78	7	are	be	AUX
eurjchem-2484	78	8	given	give	VERB
eurjchem-2484	78	9	in	in	ADP
eurjchem-2484	78	10	table	table	NOUN
eurjchem-2484	78	11	1	1	NUM
eurjchem-2484	78	12	.	.	NOUN
eurjchem-2484	78	13	2.3	2.3	NUM
eurjchem-2484	78	14	.	.	PUNCT
eurjchem-2484	79	1	differential	differential	PROPN
eurjchem-2484	79	2	scanning	scan	VERB
eurjchem-2484	79	3	calorimetry	calorimetry	NOUN
eurjchem-2484	79	4	mettler	mettler	PROPN
eurjchem-2484	79	5	toledo	toledo	PROPN
eurjchem-2484	79	6	dsc	dsc	PROPN
eurjchem-2484	79	7	822	822	NUM
eurjchem-2484	79	8	was	be	AUX
eurjchem-2484	79	9	used	use	VERB
eurjchem-2484	79	10	for	for	ADP
eurjchem-2484	79	11	thermal	thermal	ADJ
eurjchem-2484	79	12	measurements	measurement	NOUN
eurjchem-2484	79	13	of	of	ADP
eurjchem-2484	79	14	the	the	DET
eurjchem-2484	79	15	samples	sample	NOUN
eurjchem-2484	79	16	,	,	PUNCT
eurjchem-2484	79	17	with	with	ADP
eurjchem-2484	79	18	an	an	DET
eurjchem-2484	79	19	empty	empty	ADJ
eurjchem-2484	79	20	aluminum	aluminum	NOUN
eurjchem-2484	79	21	pan	pan	NOUN
eurjchem-2484	79	22	as	as	ADP
eurjchem-2484	79	23	a	a	DET
eurjchem-2484	79	24	reference	reference	NOUN
eurjchem-2484	79	25	.	.	PUNCT
eurjchem-2484	80	1	temperature	temperature	NOUN
eurjchem-2484	80	2	and	and	CCONJ
eurjchem-2484	80	3	enthalpy	enthalpy	NOUN
eurjchem-2484	80	4	calibration	calibration	NOUN
eurjchem-2484	80	5	of	of	ADP
eurjchem-2484	80	6	the	the	DET
eurjchem-2484	80	7	instrument	instrument	NOUN
eurjchem-2484	80	8	was	be	AUX
eurjchem-2484	80	9	done	do	VERB
eurjchem-2484	80	10	using	use	VERB
eurjchem-2484	80	11	cyclohexane	cyclohexane	NOUN
eurjchem-2484	80	12	and	and	CCONJ
eurjchem-2484	80	13	indium	indium	NOUN
eurjchem-2484	80	14	.	.	PUNCT
eurjchem-2484	81	1	the	the	DET
eurjchem-2484	81	2	reported	report	VERB
eurjchem-2484	81	3	transition	transition	NOUN
eurjchem-2484	81	4	temperature	temperature	NOUN
eurjchem-2484	81	5	,	,	PUNCT
eurjchem-2484	81	6	tc	tc	NOUN
eurjchem-2484	81	7	,	,	PUNCT
eurjchem-2484	81	8	is	be	AUX
eurjchem-2484	81	9	the	the	DET
eurjchem-2484	81	10	peak	peak	NOUN
eurjchem-2484	81	11	temperature	temperature	NOUN
eurjchem-2484	81	12	.	.	PUNCT
eurjchem-2484	82	1	lata	lata	PROPN
eurjchem-2484	82	2	panicker	panicker	PROPN
eurjchem-2484	82	3	/	/	SYM
eurjchem-2484	82	4	european	european	PROPN
eurjchem-2484	82	5	journal	journal	PROPN
eurjchem-2484	82	6	of	of	ADP
eurjchem-2484	82	7	chemistry	chemistry	NOUN
eurjchem-2484	82	8	15	15	NUM
eurjchem-2484	82	9	(	(	PUNCT
eurjchem-2484	82	10	1	1	NUM
eurjchem-2484	82	11	)	)	PUNCT
eurjchem-2484	82	12	(	(	PUNCT
eurjchem-2484	82	13	2024	2024	NUM
eurjchem-2484	82	14	)	)	PUNCT
eurjchem-2484	82	15	1	1	NUM
eurjchem-2484	82	16	-	-	SYM
eurjchem-2484	82	17	16	16	NUM
eurjchem-2484	82	18	3	3	NUM
eurjchem-2484	82	19	2024	2024	NUM
eurjchem-2484	82	20	–	–	PUNCT
eurjchem-2484	82	21	european	european	ADJ
eurjchem-2484	82	22	journal	journal	NOUN
eurjchem-2484	82	23	of	of	ADP
eurjchem-2484	82	24	chemistry	chemistry	NOUN
eurjchem-2484	82	25	–	–	PUNCT
eurjchem-2484	82	26	cc	cc	NOUN
eurjchem-2484	82	27	by	by	ADP
eurjchem-2484	82	28	nc	nc	PROPN
eurjchem-2484	82	29	–	–	PUNCT
eurjchem-2484	82	30	doi	doi	PROPN
eurjchem-2484	82	31	:	:	PUNCT
eurjchem-2484	82	32	10.5155	10.5155	NUM
eurjchem-2484	82	33	/	/	SYM
eurjchem-2484	82	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	82	35	-	-	SYM
eurjchem-2484	82	36	16.2484	16.2484	NUM
eurjchem-2484	82	37	figure	figure	NOUN
eurjchem-2484	82	38	1	1	NUM
eurjchem-2484	82	39	.	.	PUNCT
eurjchem-2484	83	1	the	the	DET
eurjchem-2484	83	2	asymmetric	asymmetric	ADJ
eurjchem-2484	83	3	unit	unit	NOUN
eurjchem-2484	83	4	of	of	ADP
eurjchem-2484	83	5	the	the	DET
eurjchem-2484	83	6	4	4	NUM
eurjchem-2484	83	7	-	-	PUNCT
eurjchem-2484	83	8	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	83	9	dihydrogen	dihydrogen	NOUN
eurjchem-2484	83	10	phosphate	phosphate	NOUN
eurjchem-2484	83	11	monohydrate	monohydrate	NOUN
eurjchem-2484	83	12	(	(	PUNCT
eurjchem-2484	83	13	4	4	NUM
eurjchem-2484	83	14	-	-	PUNCT
eurjchem-2484	83	15	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	83	16	)	)	PUNCT
eurjchem-2484	83	17	complex	complex	NOUN
eurjchem-2484	83	18	with	with	ADP
eurjchem-2484	83	19	the	the	DET
eurjchem-2484	83	20	atom	atom	NOUN
eurjchem-2484	83	21	labeling	labeling	NOUN
eurjchem-2484	83	22	scheme	scheme	NOUN
eurjchem-2484	83	23	and	and	CCONJ
eurjchem-2484	83	24	hydrogen	hydrogen	NOUN
eurjchem-2484	83	25	bond	bond	NOUN
eurjchem-2484	83	26	is	be	AUX
eurjchem-2484	83	27	shown	show	VERB
eurjchem-2484	83	28	as	as	ADP
eurjchem-2484	83	29	a	a	DET
eurjchem-2484	83	30	dashed	dash	VERB
eurjchem-2484	83	31	line	line	NOUN
eurjchem-2484	83	32	.	.	PUNCT
eurjchem-2484	84	1	displacement	displacement	ADJ
eurjchem-2484	84	2	ellipsoids	ellipsoid	NOUN
eurjchem-2484	84	3	are	be	AUX
eurjchem-2484	84	4	drawn	draw	VERB
eurjchem-2484	84	5	at	at	ADP
eurjchem-2484	84	6	50	50	NUM
eurjchem-2484	84	7	%	%	NOUN
eurjchem-2484	84	8	probability	probability	NOUN
eurjchem-2484	84	9	level	level	NOUN
eurjchem-2484	84	10	and	and	CCONJ
eurjchem-2484	84	11	h	h	NOUN
eurjchem-2484	84	12	atoms	atom	NOUN
eurjchem-2484	84	13	are	be	AUX
eurjchem-2484	84	14	shown	show	VERB
eurjchem-2484	84	15	as	as	ADP
eurjchem-2484	84	16	small	small	ADJ
eurjchem-2484	84	17	spheres	sphere	NOUN
eurjchem-2484	84	18	of	of	ADP
eurjchem-2484	84	19	arbitrary	arbitrary	ADJ
eurjchem-2484	84	20	radius	radius	NOUN
eurjchem-2484	84	21	.	.	PUNCT
eurjchem-2484	85	1	the	the	DET
eurjchem-2484	85	2	transition	transition	NOUN
eurjchem-2484	85	3	enthalpy	enthalpy	NOUN
eurjchem-2484	85	4	of	of	ADP
eurjchem-2484	85	5	the	the	DET
eurjchem-2484	85	6	endothermic	endothermic	PROPN
eurjchem-2484	85	7	curve	curve	NOUN
eurjchem-2484	85	8	was	be	AUX
eurjchem-2484	85	9	calculated	calculate	VERB
eurjchem-2484	85	10	using	use	VERB
eurjchem-2484	85	11	the	the	DET
eurjchem-2484	85	12	mettler	mettler	PROPN
eurjchem-2484	85	13	toledo	toledo	PROPN
eurjchem-2484	85	14	software	software	PROPN
eurjchem-2484	85	15	.	.	PUNCT
eurjchem-2484	86	1	the	the	DET
eurjchem-2484	86	2	expected	expect	VERB
eurjchem-2484	86	3	experimental	experimental	ADJ
eurjchem-2484	86	4	errors	error	NOUN
eurjchem-2484	86	5	in	in	ADP
eurjchem-2484	86	6	temperature	temperature	NOUN
eurjchem-2484	86	7	and	and	CCONJ
eurjchem-2484	86	8	enthalpy	enthalpy	NOUN
eurjchem-2484	86	9	values	value	NOUN
eurjchem-2484	86	10	were	be	AUX
eurjchem-2484	86	11	±0.1	±0.1	NOUN
eurjchem-2484	86	12	°	°	ADP
eurjchem-2484	86	13	c	c	NOUN
eurjchem-2484	86	14	and	and	CCONJ
eurjchem-2484	86	15	±5	±5	NOUN
eurjchem-2484	86	16	%	%	NOUN
eurjchem-2484	86	17	,	,	PUNCT
eurjchem-2484	86	18	respectively	respectively	ADV
eurjchem-2484	86	19	.	.	PUNCT
eurjchem-2484	87	1	for	for	ADP
eurjchem-2484	87	2	measuring	measure	VERB
eurjchem-2484	87	3	the	the	DET
eurjchem-2484	87	4	low	low	ADJ
eurjchem-2484	87	5	temperature	temperature	NOUN
eurjchem-2484	87	6	transition	transition	NOUN
eurjchem-2484	87	7	,	,	PUNCT
eurjchem-2484	87	8	25	25	NUM
eurjchem-2484	87	9	to	to	PART
eurjchem-2484	87	10	30	30	NUM
eurjchem-2484	87	11	mg	mg	NOUN
eurjchem-2484	87	12	of	of	ADP
eurjchem-2484	87	13	crystalline	crystalline	NOUN
eurjchem-2484	87	14	sample	sample	NOUN
eurjchem-2484	87	15	was	be	AUX
eurjchem-2484	87	16	taken	take	VERB
eurjchem-2484	87	17	,	,	PUNCT
eurjchem-2484	87	18	and	and	CCONJ
eurjchem-2484	87	19	for	for	ADP
eurjchem-2484	87	20	the	the	DET
eurjchem-2484	87	21	crystal	crystal	NOUN
eurjchem-2484	87	22	-	-	PUNCT
eurjchem-2484	87	23	to	to	ADP
eurjchem-2484	87	24	-	-	PUNCT
eurjchem-2484	87	25	isotropic	isotropic	NOUN
eurjchem-2484	87	26	melting	melting	NOUN
eurjchem-2484	87	27	,	,	PUNCT
eurjchem-2484	87	28	4	4	NUM
eurjchem-2484	87	29	-	-	SYM
eurjchem-2484	87	30	5	5	NUM
eurjchem-2484	87	31	mg	mg	NOUN
eurjchem-2484	87	32	of	of	ADP
eurjchem-2484	87	33	sample	sample	NOUN
eurjchem-2484	87	34	was	be	AUX
eurjchem-2484	87	35	used	use	VERB
eurjchem-2484	87	36	.	.	PUNCT
eurjchem-2484	88	1	the	the	DET
eurjchem-2484	88	2	dsc	dsc	NOUN
eurjchem-2484	88	3	experiments	experiment	NOUN
eurjchem-2484	88	4	were	be	AUX
eurjchem-2484	88	5	repeated	repeat	VERB
eurjchem-2484	88	6	three	three	NUM
eurjchem-2484	88	7	times	time	NOUN
eurjchem-2484	88	8	on	on	ADP
eurjchem-2484	88	9	the	the	DET
eurjchem-2484	88	10	same	same	ADJ
eurjchem-2484	88	11	sample	sample	NOUN
eurjchem-2484	88	12	to	to	PART
eurjchem-2484	88	13	check	check	VERB
eurjchem-2484	88	14	the	the	DET
eurjchem-2484	88	15	reversibility	reversibility	NOUN
eurjchem-2484	88	16	of	of	ADP
eurjchem-2484	88	17	the	the	DET
eurjchem-2484	88	18	transitions	transition	NOUN
eurjchem-2484	88	19	,	,	PUNCT
eurjchem-2484	88	20	and	and	CCONJ
eurjchem-2484	88	21	fresh	fresh	ADJ
eurjchem-2484	88	22	samples	sample	NOUN
eurjchem-2484	88	23	from	from	ADP
eurjchem-2484	88	24	different	different	ADJ
eurjchem-2484	88	25	syntheses	synthesis	NOUN
eurjchem-2484	88	26	were	be	AUX
eurjchem-2484	88	27	also	also	ADV
eurjchem-2484	88	28	repeated	repeat	VERB
eurjchem-2484	88	29	to	to	PART
eurjchem-2484	88	30	check	check	VERB
eurjchem-2484	88	31	the	the	DET
eurjchem-2484	88	32	reproducibility	reproducibility	NOUN
eurjchem-2484	88	33	of	of	ADP
eurjchem-2484	88	34	the	the	DET
eurjchem-2484	88	35	dsc	dsc	PROPN
eurjchem-2484	88	36	data	datum	NOUN
eurjchem-2484	88	37	.	.	PUNCT
eurjchem-2484	89	1	2.4	2.4	NUM
eurjchem-2484	89	2	.	.	PUNCT
eurjchem-2484	90	1	fourier	fourier	PROPN
eurjchem-2484	90	2	transform	transform	VERB
eurjchem-2484	90	3	ir	ir	PROPN
eurjchem-2484	90	4	spectroscopy	spectroscopy	NOUN
eurjchem-2484	90	5	ir	ir	PROPN
eurjchem-2484	90	6	spectra	spectra	PROPN
eurjchem-2484	90	7	were	be	AUX
eurjchem-2484	90	8	recorded	record	VERB
eurjchem-2484	90	9	in	in	ADP
eurjchem-2484	90	10	wavenumber	wavenumber	NOUN
eurjchem-2484	90	11	regions	region	NOUN
eurjchem-2484	90	12	of	of	ADP
eurjchem-2484	90	13	4000	4000	NUM
eurjchem-2484	90	14	to	to	ADP
eurjchem-2484	90	15	650	650	NUM
eurjchem-2484	90	16	cm-1	cm-1	VERB
eurjchem-2484	90	17	using	use	VERB
eurjchem-2484	90	18	a	a	DET
eurjchem-2484	90	19	vertex	vertex	NOUN
eurjchem-2484	90	20	70	70	NUM
eurjchem-2484	90	21	ftir	ftir	NOUN
eurjchem-2484	90	22	spectrometer	spectrometer	NOUN
eurjchem-2484	90	23	(	(	PUNCT
eurjchem-2484	90	24	bruker	bruker	PROPN
eurjchem-2484	90	25	optik	optik	PROPN
eurjchem-2484	90	26	gmbh	gmbh	PROPN
eurjchem-2484	90	27	,	,	PUNCT
eurjchem-2484	90	28	germany	germany	PROPN
eurjchem-2484	90	29	)	)	PUNCT
eurjchem-2484	90	30	equipped	equip	VERB
eurjchem-2484	90	31	with	with	ADP
eurjchem-2484	90	32	a	a	DET
eurjchem-2484	90	33	bioatr	bioatr	ADJ
eurjchem-2484	90	34	cell	cell	NOUN
eurjchem-2484	90	35	ii	ii	NOUN
eurjchem-2484	90	36	(	(	PUNCT
eurjchem-2484	90	37	bruker	bruker	PROPN
eurjchem-2484	90	38	optik	optik	PROPN
eurjchem-2484	90	39	gmbh	gmbh	PROPN
eurjchem-2484	90	40	,	,	PUNCT
eurjchem-2484	90	41	germany	germany	PROPN
eurjchem-2484	90	42	)	)	PUNCT
eurjchem-2484	90	43	,	,	PUNCT
eurjchem-2484	90	44	which	which	PRON
eurjchem-2484	90	45	contains	contain	VERB
eurjchem-2484	90	46	a	a	DET
eurjchem-2484	90	47	multireflection	multireflection	NOUN
eurjchem-2484	90	48	silicon	silicon	NOUN
eurjchem-2484	90	49	crystal	crystal	NOUN
eurjchem-2484	90	50	.	.	PUNCT
eurjchem-2484	91	1	the	the	DET
eurjchem-2484	91	2	dlatgs	dlatgs	NOUN
eurjchem-2484	91	3	detector	detector	NOUN
eurjchem-2484	91	4	was	be	AUX
eurjchem-2484	91	5	used	use	VERB
eurjchem-2484	91	6	to	to	PART
eurjchem-2484	91	7	measure	measure	VERB
eurjchem-2484	91	8	the	the	DET
eurjchem-2484	91	9	vibrational	vibrational	ADJ
eurjchem-2484	91	10	bands	band	NOUN
eurjchem-2484	91	11	.	.	PUNCT
eurjchem-2484	92	1	the	the	DET
eurjchem-2484	92	2	spectral	spectral	ADJ
eurjchem-2484	92	3	resolution	resolution	NOUN
eurjchem-2484	92	4	was	be	AUX
eurjchem-2484	92	5	set	set	VERB
eurjchem-2484	92	6	to	to	ADP
eurjchem-2484	92	7	4	4	NUM
eurjchem-2484	92	8	cm−1	cm−1	NOUN
eurjchem-2484	92	9	,	,	PUNCT
eurjchem-2484	92	10	and	and	CCONJ
eurjchem-2484	92	11	for	for	ADP
eurjchem-2484	92	12	each	each	DET
eurjchem-2484	92	13	spectrum	spectrum	NOUN
eurjchem-2484	92	14	200	200	NUM
eurjchem-2484	92	15	scans	scan	NOUN
eurjchem-2484	92	16	were	be	AUX
eurjchem-2484	92	17	recorded	record	VERB
eurjchem-2484	92	18	.	.	PUNCT
eurjchem-2484	93	1	the	the	DET
eurjchem-2484	93	2	surface	surface	NOUN
eurjchem-2484	93	3	of	of	ADP
eurjchem-2484	93	4	the	the	DET
eurjchem-2484	93	5	atr	atr	PROPN
eurjchem-2484	93	6	crystal	crystal	NOUN
eurjchem-2484	93	7	was	be	AUX
eurjchem-2484	93	8	cleaned	clean	VERB
eurjchem-2484	93	9	with	with	ADP
eurjchem-2484	93	10	distilled	distil	VERB
eurjchem-2484	93	11	water	water	NOUN
eurjchem-2484	93	12	and	and	CCONJ
eurjchem-2484	93	13	isopropyl	isopropyl	NOUN
eurjchem-2484	93	14	alcohol	alcohol	NOUN
eurjchem-2484	93	15	before	before	ADP
eurjchem-2484	93	16	loading	load	VERB
eurjchem-2484	93	17	the	the	DET
eurjchem-2484	93	18	sample	sample	NOUN
eurjchem-2484	93	19	.	.	PUNCT
eurjchem-2484	94	1	the	the	DET
eurjchem-2484	94	2	powder	powder	NOUN
eurjchem-2484	94	3	sample	sample	NOUN
eurjchem-2484	94	4	was	be	AUX
eurjchem-2484	94	5	placed	place	VERB
eurjchem-2484	94	6	on	on	ADP
eurjchem-2484	94	7	the	the	DET
eurjchem-2484	94	8	silicon	silicon	NOUN
eurjchem-2484	94	9	crystal	crystal	NOUN
eurjchem-2484	94	10	and	and	CCONJ
eurjchem-2484	94	11	sealed	seal	VERB
eurjchem-2484	94	12	with	with	ADP
eurjchem-2484	94	13	a	a	DET
eurjchem-2484	94	14	lid	lid	NOUN
eurjchem-2484	94	15	.	.	PUNCT
eurjchem-2484	95	1	the	the	DET
eurjchem-2484	95	2	temperature	temperature	NOUN
eurjchem-2484	95	3	of	of	ADP
eurjchem-2484	95	4	the	the	DET
eurjchem-2484	95	5	silicon	silicon	NOUN
eurjchem-2484	95	6	crystal	crystal	NOUN
eurjchem-2484	95	7	in	in	ADP
eurjchem-2484	95	8	the	the	DET
eurjchem-2484	95	9	bioatr	bioatr	ADJ
eurjchem-2484	95	10	cell	cell	NOUN
eurjchem-2484	95	11	ii	ii	PROPN
eurjchem-2484	95	12	assembly	assembly	NOUN
eurjchem-2484	95	13	was	be	AUX
eurjchem-2484	95	14	controlled	control	VERB
eurjchem-2484	95	15	using	use	VERB
eurjchem-2484	95	16	an	an	DET
eurjchem-2484	95	17	external	external	ADJ
eurjchem-2484	95	18	water	water	NOUN
eurjchem-2484	95	19	bath	bath	NOUN
eurjchem-2484	95	20	,	,	PUNCT
eurjchem-2484	95	21	huber	huber	PROPN
eurjchem-2484	95	22	ministate	ministate	NOUN
eurjchem-2484	95	23	125	125	NUM
eurjchem-2484	95	24	(	(	PUNCT
eurjchem-2484	95	25	peter	peter	PROPN
eurjchem-2484	95	26	huber	huber	PROPN
eurjchem-2484	95	27	,	,	PUNCT
eurjchem-2484	95	28	kaltemaschinenbau	kaltemaschinenbau	PROPN
eurjchem-2484	95	29	,	,	PUNCT
eurjchem-2484	95	30	germany	germany	PROPN
eurjchem-2484	95	31	)	)	PUNCT
eurjchem-2484	95	32	.	.	PUNCT
eurjchem-2484	96	1	the	the	DET
eurjchem-2484	96	2	sample	sample	NOUN
eurjchem-2484	96	3	was	be	AUX
eurjchem-2484	96	4	equilibrated	equilibrate	VERB
eurjchem-2484	96	5	at	at	ADP
eurjchem-2484	96	6	298	298	NUM
eurjchem-2484	96	7	k	k	NOUN
eurjchem-2484	96	8	for	for	ADP
eurjchem-2484	96	9	10	10	NUM
eurjchem-2484	96	10	minutes	minute	NOUN
eurjchem-2484	96	11	before	before	ADP
eurjchem-2484	96	12	recording	record	VERB
eurjchem-2484	96	13	the	the	DET
eurjchem-2484	96	14	spectrum	spectrum	NOUN
eurjchem-2484	96	15	.	.	PUNCT
eurjchem-2484	97	1	the	the	DET
eurjchem-2484	97	2	sample	sample	PROPN
eurjchem-2484	97	3	chamber	chamber	PROPN
eurjchem-2484	97	4	was	be	AUX
eurjchem-2484	97	5	flushed	flush	VERB
eurjchem-2484	97	6	with	with	ADP
eurjchem-2484	97	7	dry	dry	ADJ
eurjchem-2484	97	8	air	air	NOUN
eurjchem-2484	97	9	during	during	ADP
eurjchem-2484	97	10	the	the	DET
eurjchem-2484	97	11	experiments	experiment	NOUN
eurjchem-2484	97	12	.	.	PUNCT
eurjchem-2484	98	1	the	the	DET
eurjchem-2484	98	2	spectrum	spectrum	NOUN
eurjchem-2484	98	3	of	of	ADP
eurjchem-2484	98	4	air	air	NOUN
eurjchem-2484	98	5	was	be	AUX
eurjchem-2484	98	6	used	use	VERB
eurjchem-2484	98	7	as	as	ADP
eurjchem-2484	98	8	the	the	DET
eurjchem-2484	98	9	background	background	NOUN
eurjchem-2484	98	10	prior	prior	ADV
eurjchem-2484	98	11	to	to	ADP
eurjchem-2484	98	12	each	each	DET
eurjchem-2484	98	13	sample	sample	NOUN
eurjchem-2484	98	14	analysis	analysis	NOUN
eurjchem-2484	98	15	.	.	PUNCT
eurjchem-2484	99	1	the	the	DET
eurjchem-2484	99	2	ftir	ftir	PROPN
eurjchem-2484	99	3	spectra	spectra	PROPN
eurjchem-2484	99	4	recorded	record	VERB
eurjchem-2484	99	5	were	be	AUX
eurjchem-2484	99	6	analyzed	analyze	VERB
eurjchem-2484	99	7	using	use	VERB
eurjchem-2484	99	8	opus	opus	PROPN
eurjchem-2484	99	9	software	software	NOUN
eurjchem-2484	99	10	.	.	PUNCT
eurjchem-2484	100	1	2.5	2.5	NUM
eurjchem-2484	100	2	.	.	PUNCT
eurjchem-2484	101	1	hirshfeld	hirshfeld	PROPN
eurjchem-2484	101	2	surface	surface	PROPN
eurjchem-2484	101	3	analyses	analysis	NOUN
eurjchem-2484	101	4	crystalexplorer	crystalexplorer	NOUN
eurjchem-2484	101	5	21	21	NUM
eurjchem-2484	101	6	software	software	NOUN
eurjchem-2484	101	7	[	[	X
eurjchem-2484	101	8	13	13	NUM
eurjchem-2484	101	9	-	-	SYM
eurjchem-2484	101	10	15	15	NUM
eurjchem-2484	101	11	]	]	PUNCT
eurjchem-2484	101	12	was	be	AUX
eurjchem-2484	101	13	used	use	VERB
eurjchem-2484	101	14	to	to	PART
eurjchem-2484	101	15	analyze	analyze	VERB
eurjchem-2484	101	16	and	and	CCONJ
eurjchem-2484	101	17	visualize	visualize	VERB
eurjchem-2484	101	18	hirshfeld	hirshfeld	NOUN
eurjchem-2484	101	19	surfaces	surface	NOUN
eurjchem-2484	101	20	(	(	PUNCT
eurjchem-2484	101	21	hs	hs	X
eurjchem-2484	101	22	)	)	PUNCT
eurjchem-2484	102	1	[	[	X
eurjchem-2484	102	2	16	16	NUM
eurjchem-2484	102	3	]	]	PUNCT
eurjchem-2484	102	4	and	and	CCONJ
eurjchem-2484	102	5	their	their	PRON
eurjchem-2484	102	6	relative	relative	ADJ
eurjchem-2484	102	7	2d	2d	NUM
eurjchem-2484	102	8	fingerprint	fingerprint	NOUN
eurjchem-2484	102	9	plots	plot	NOUN
eurjchem-2484	102	10	[	[	X
eurjchem-2484	102	11	17	17	NUM
eurjchem-2484	102	12	]	]	PUNCT
eurjchem-2484	102	13	using	use	VERB
eurjchem-2484	102	14	the	the	DET
eurjchem-2484	102	15	final	final	ADJ
eurjchem-2484	102	16	cif	cif	PROPN
eurjchem-2484	102	17	file	file	NOUN
eurjchem-2484	102	18	of	of	ADP
eurjchem-2484	102	19	4	4	NUM
eurjchem-2484	102	20	-	-	PUNCT
eurjchem-2484	102	21	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	102	22	.	.	PUNCT
eurjchem-2484	103	1	the	the	DET
eurjchem-2484	103	2	normalized	normalize	VERB
eurjchem-2484	103	3	contact	contact	NOUN
eurjchem-2484	103	4	distance	distance	NOUN
eurjchem-2484	103	5	,	,	PUNCT
eurjchem-2484	103	6	dnorm	dnorm	NOUN
eurjchem-2484	103	7	,	,	PUNCT
eurjchem-2484	103	8	and	and	CCONJ
eurjchem-2484	103	9	2d	2d	NOUN
eurjchem-2484	103	10	fingerprint	fingerprint	NOUN
eurjchem-2484	103	11	plots	plot	NOUN
eurjchem-2484	103	12	were	be	AUX
eurjchem-2484	103	13	used	use	VERB
eurjchem-2484	103	14	to	to	PART
eurjchem-2484	103	15	quantify	quantify	VERB
eurjchem-2484	103	16	,	,	PUNCT
eurjchem-2484	103	17	visualize	visualize	VERB
eurjchem-2484	103	18	,	,	PUNCT
eurjchem-2484	103	19	and	and	CCONJ
eurjchem-2484	103	20	decode	decode	VERB
eurjchem-2484	103	21	the	the	DET
eurjchem-2484	103	22	intercontact	intercontact	NOUN
eurjchem-2484	103	23	in	in	ADP
eurjchem-2484	103	24	the	the	DET
eurjchem-2484	103	25	crystal	crystal	NOUN
eurjchem-2484	103	26	packing	packing	NOUN
eurjchem-2484	103	27	.	.	PUNCT
eurjchem-2484	104	1	the	the	DET
eurjchem-2484	104	2	dark	dark	ADJ
eurjchem-2484	104	3	-	-	PUNCT
eurjchem-2484	104	4	red	red	ADJ
eurjchem-2484	104	5	spots	spot	NOUN
eurjchem-2484	104	6	on	on	ADP
eurjchem-2484	104	7	the	the	DET
eurjchem-2484	104	8	dnorm	dnorm	NOUN
eurjchem-2484	104	9	surface	surface	NOUN
eurjchem-2484	104	10	arise	arise	NOUN
eurjchem-2484	104	11	as	as	ADP
eurjchem-2484	104	12	a	a	DET
eurjchem-2484	104	13	result	result	NOUN
eurjchem-2484	104	14	of	of	ADP
eurjchem-2484	104	15	the	the	DET
eurjchem-2484	104	16	short	short	ADJ
eurjchem-2484	104	17	interatomic	interatomic	ADJ
eurjchem-2484	104	18	contacts	contact	NOUN
eurjchem-2484	104	19	,	,	PUNCT
eurjchem-2484	104	20	while	while	SCONJ
eurjchem-2484	104	21	the	the	DET
eurjchem-2484	104	22	other	other	ADJ
eurjchem-2484	104	23	intermolecular	intermolecular	ADJ
eurjchem-2484	104	24	interactions	interaction	NOUN
eurjchem-2484	104	25	appear	appear	VERB
eurjchem-2484	104	26	as	as	ADP
eurjchem-2484	104	27	light	light	ADJ
eurjchem-2484	104	28	-	-	PUNCT
eurjchem-2484	104	29	red	red	ADJ
eurjchem-2484	104	30	spots	spot	NOUN
eurjchem-2484	104	31	.	.	PUNCT
eurjchem-2484	105	1	the	the	DET
eurjchem-2484	105	2	regions	region	NOUN
eurjchem-2484	105	3	with	with	ADP
eurjchem-2484	105	4	blue	blue	ADJ
eurjchem-2484	105	5	color	color	NOUN
eurjchem-2484	105	6	on	on	ADP
eurjchem-2484	105	7	the	the	DET
eurjchem-2484	105	8	dnorm	dnorm	NOUN
eurjchem-2484	105	9	represent	represent	VERB
eurjchem-2484	105	10	longer	long	ADJ
eurjchem-2484	105	11	intercontacts	intercontact	NOUN
eurjchem-2484	105	12	,	,	PUNCT
eurjchem-2484	105	13	while	while	SCONJ
eurjchem-2484	105	14	the	the	DET
eurjchem-2484	105	15	white	white	ADJ
eurjchem-2484	105	16	color	color	NOUN
eurjchem-2484	105	17	indicates	indicate	VERB
eurjchem-2484	105	18	the	the	DET
eurjchem-2484	105	19	contacts	contact	NOUN
eurjchem-2484	105	20	around	around	ADP
eurjchem-2484	105	21	the	the	DET
eurjchem-2484	105	22	van	van	PROPN
eurjchem-2484	105	23	der	der	NOUN
eurjchem-2484	105	24	waals	waal	NOUN
eurjchem-2484	105	25	radius	radius	VERB
eurjchem-2484	105	26	.	.	PUNCT
eurjchem-2484	106	1	hs	hs	PROPN
eurjchem-2484	106	2	analysis	analysis	NOUN
eurjchem-2484	106	3	has	have	AUX
eurjchem-2484	106	4	become	become	VERB
eurjchem-2484	106	5	a	a	DET
eurjchem-2484	106	6	very	very	ADV
eurjchem-2484	106	7	useful	useful	ADJ
eurjchem-2484	106	8	tool	tool	NOUN
eurjchem-2484	106	9	for	for	ADP
eurjchem-2484	106	10	explaining	explain	VERB
eurjchem-2484	106	11	the	the	DET
eurjchem-2484	106	12	nature	nature	NOUN
eurjchem-2484	106	13	of	of	ADP
eurjchem-2484	106	14	intermolecular	intermolecular	ADJ
eurjchem-2484	106	15	interactions	interaction	NOUN
eurjchem-2484	106	16	that	that	PRON
eurjchem-2484	106	17	affect	affect	VERB
eurjchem-2484	106	18	the	the	DET
eurjchem-2484	106	19	packing	packing	NOUN
eurjchem-2484	106	20	of	of	ADP
eurjchem-2484	106	21	molecules	molecule	NOUN
eurjchem-2484	106	22	in	in	ADP
eurjchem-2484	106	23	crystals	crystal	NOUN
eurjchem-2484	106	24	[	[	X
eurjchem-2484	106	25	15	15	NUM
eurjchem-2484	106	26	]	]	PUNCT
eurjchem-2484	106	27	.	.	PUNCT
eurjchem-2484	107	1	the	the	DET
eurjchem-2484	107	2	parameters	parameter	NOUN
eurjchem-2484	107	3	used	use	VERB
eurjchem-2484	107	4	in	in	ADP
eurjchem-2484	107	5	2d	2d	NUM
eurjchem-2484	107	6	fingerprint	fingerprint	NOUN
eurjchem-2484	107	7	plots	plot	NOUN
eurjchem-2484	107	8	represent	represent	VERB
eurjchem-2484	107	9	the	the	DET
eurjchem-2484	107	10	distances	distance	NOUN
eurjchem-2484	107	11	to	to	ADP
eurjchem-2484	107	12	the	the	DET
eurjchem-2484	107	13	hirshfeld	hirshfeld	PROPN
eurjchem-2484	107	14	surface	surface	NOUN
eurjchem-2484	107	15	from	from	ADP
eurjchem-2484	107	16	the	the	DET
eurjchem-2484	107	17	nuclei	nucleus	NOUN
eurjchem-2484	107	18	(	(	PUNCT
eurjchem-2484	107	19	di	di	X
eurjchem-2484	107	20	(	(	PUNCT
eurjchem-2484	107	21	inside	inside	ADV
eurjchem-2484	107	22	)	)	PUNCT
eurjchem-2484	107	23	and	and	CCONJ
eurjchem-2484	107	24	de	de	X
eurjchem-2484	107	25	(	(	PUNCT
eurjchem-2484	107	26	outside	outside	ADJ
eurjchem-2484	107	27	)	)	PUNCT
eurjchem-2484	107	28	)	)	PUNCT
eurjchem-2484	107	29	,	,	PUNCT
eurjchem-2484	107	30	with	with	ADP
eurjchem-2484	107	31	respect	respect	NOUN
eurjchem-2484	107	32	to	to	ADP
eurjchem-2484	107	33	the	the	DET
eurjchem-2484	107	34	relative	relative	ADJ
eurjchem-2484	107	35	van	van	PROPN
eurjchem-2484	107	36	der	der	NOUN
eurjchem-2484	107	37	waals	waal	NOUN
eurjchem-2484	107	38	radius	radius	NOUN
eurjchem-2484	107	39	(	(	PUNCT
eurjchem-2484	107	40	vdw	vdw	PROPN
eurjchem-2484	107	41	)	)	PUNCT
eurjchem-2484	107	42	.	.	PUNCT
eurjchem-2484	108	1	two	two	NUM
eurjchem-2484	108	2	-	-	PUNCT
eurjchem-2484	108	3	dimensional	dimensional	ADJ
eurjchem-2484	108	4	fingerprint	fingerprint	NOUN
eurjchem-2484	108	5	plots	plot	NOUN
eurjchem-2484	108	6	provide	provide	VERB
eurjchem-2484	108	7	relevant	relevant	ADJ
eurjchem-2484	108	8	information	information	NOUN
eurjchem-2484	108	9	about	about	ADP
eurjchem-2484	108	10	the	the	DET
eurjchem-2484	108	11	intermolecular	intermolecular	ADJ
eurjchem-2484	108	12	contacts	contact	NOUN
eurjchem-2484	108	13	in	in	ADP
eurjchem-2484	108	14	the	the	DET
eurjchem-2484	108	15	crystal	crystal	NOUN
eurjchem-2484	108	16	.	.	PUNCT
eurjchem-2484	109	1	the	the	DET
eurjchem-2484	109	2	dnorm	dnorm	NOUN
eurjchem-2484	109	3	surface	surface	NOUN
eurjchem-2484	109	4	was	be	AUX
eurjchem-2484	109	5	mapped	map	VERB
eurjchem-2484	109	6	with	with	ADP
eurjchem-2484	109	7	the	the	DET
eurjchem-2484	109	8	color	color	NOUN
eurjchem-2484	109	9	scale	scale	NOUN
eurjchem-2484	109	10	in	in	ADP
eurjchem-2484	109	11	the	the	DET
eurjchem-2484	109	12	range	range	NOUN
eurjchem-2484	109	13	-0.8010	-0.8010	NOUN
eurjchem-2484	109	14	a.u	a.u	PROPN
eurjchem-2484	109	15	.	.	PROPN
eurjchem-2484	109	16	(	(	PUNCT
eurjchem-2484	109	17	red	red	PROPN
eurjchem-2484	109	18	)	)	PUNCT
eurjchem-2484	109	19	to	to	ADP
eurjchem-2484	109	20	1.0648	1.0648	NUM
eurjchem-2484	109	21	a.u	a.u	PROPN
eurjchem-2484	109	22	.	.	PUNCT
eurjchem-2484	110	1	(	(	PUNCT
eurjchem-2484	110	2	blue	blue	ADJ
eurjchem-2484	110	3	)	)	PUNCT
eurjchem-2484	110	4	.	.	PUNCT
eurjchem-2484	111	1	the	the	DET
eurjchem-2484	111	2	2d	2d	PROPN
eurjchem-2484	111	3	fingerprint	fingerprint	NOUN
eurjchem-2484	111	4	plots	plot	NOUN
eurjchem-2484	111	5	(	(	PUNCT
eurjchem-2484	111	6	di	di	X
eurjchem-2484	111	7	vs.	vs.	X
eurjchem-2484	111	8	de	de	X
eurjchem-2484	111	9	)	)	PUNCT
eurjchem-2484	111	10	were	be	AUX
eurjchem-2484	111	11	displayed	display	VERB
eurjchem-2484	111	12	using	use	VERB
eurjchem-2484	111	13	the	the	DET
eurjchem-2484	111	14	expanded	expand	VERB
eurjchem-2484	111	15	0.6	0.6	NUM
eurjchem-2484	111	16	-	-	SYM
eurjchem-2484	111	17	2.6	2.6	NUM
eurjchem-2484	111	18	å	å	PROPN
eurjchem-2484	111	19	range	range	NOUN
eurjchem-2484	111	20	.	.	PUNCT
eurjchem-2484	112	1	2.6	2.6	NUM
eurjchem-2484	112	2	.	.	PUNCT
eurjchem-2484	113	1	3d	3d	NUM
eurjchem-2484	113	2	energy	energy	NOUN
eurjchem-2484	113	3	framework	framework	NOUN
eurjchem-2484	113	4	analysis	analysis	NOUN
eurjchem-2484	113	5	crystalexplorer	crystalexplorer	X
eurjchem-2484	113	6	21	21	NUM
eurjchem-2484	113	7	software	software	NOUN
eurjchem-2484	113	8	[	[	X
eurjchem-2484	113	9	13,14	13,14	X
eurjchem-2484	113	10	]	]	PUNCT
eurjchem-2484	113	11	was	be	AUX
eurjchem-2484	113	12	used	use	VERB
eurjchem-2484	113	13	to	to	PART
eurjchem-2484	113	14	calculate	calculate	VERB
eurjchem-2484	113	15	,	,	PUNCT
eurjchem-2484	113	16	visualize	visualize	VERB
eurjchem-2484	113	17	,	,	PUNCT
eurjchem-2484	113	18	and	and	CCONJ
eurjchem-2484	113	19	analyze	analyze	VERB
eurjchem-2484	113	20	the	the	DET
eurjchem-2484	113	21	3d	3d	PROPN
eurjchem-2484	113	22	energy	energy	NOUN
eurjchem-2484	113	23	framework	framework	NOUN
eurjchem-2484	113	24	along	along	ADP
eurjchem-2484	113	25	with	with	ADP
eurjchem-2484	113	26	the	the	DET
eurjchem-2484	113	27	energies	energy	NOUN
eurjchem-2484	113	28	of	of	ADP
eurjchem-2484	113	29	intermolecular	intermolecular	ADJ
eurjchem-2484	113	30	interaction	interaction	NOUN
eurjchem-2484	113	31	in	in	ADP
eurjchem-2484	113	32	4	4	NUM
eurjchem-2484	113	33	-	-	PUNCT
eurjchem-2484	113	34	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	113	35	.	.	PUNCT
eurjchem-2484	114	1	the	the	DET
eurjchem-2484	114	2	intermolecular	intermolecular	ADJ
eurjchem-2484	114	3	interaction	interaction	NOUN
eurjchem-2484	114	4	energies	energy	NOUN
eurjchem-2484	114	5	for	for	ADP
eurjchem-2484	114	6	the	the	DET
eurjchem-2484	114	7	energy	energy	NOUN
eurjchem-2484	114	8	framework	framework	NOUN
eurjchem-2484	114	9	analysis	analysis	NOUN
eurjchem-2484	114	10	have	have	AUX
eurjchem-2484	114	11	been	be	AUX
eurjchem-2484	114	12	estimated	estimate	VERB
eurjchem-2484	114	13	using	use	VERB
eurjchem-2484	114	14	the	the	DET
eurjchem-2484	114	15	quantum	quantum	ADJ
eurjchem-2484	114	16	level	level	NOUN
eurjchem-2484	114	17	of	of	ADP
eurjchem-2484	114	18	cehf/3	cehf/3	PROPN
eurjchem-2484	114	19	-	-	SYM
eurjchem-2484	114	20	21	21	NUM
eurjchem-2484	114	21	g	g	NOUN
eurjchem-2484	114	22	theory	theory	NOUN
eurjchem-2484	114	23	,	,	PUNCT
eurjchem-2484	114	24	as	as	ADV
eurjchem-2484	114	25	available	available	ADJ
eurjchem-2484	114	26	in	in	ADP
eurjchem-2484	114	27	crystalexplorer	crystalexplorer	X
eurjchem-2484	114	28	21	21	NUM
eurjchem-2484	114	29	by	by	ADP
eurjchem-2484	114	30	generating	generate	VERB
eurjchem-2484	114	31	a	a	DET
eurjchem-2484	114	32	cluster	cluster	NOUN
eurjchem-2484	114	33	of	of	ADP
eurjchem-2484	114	34	3×3×3	3×3×3	NUM
eurjchem-2484	114	35	unit	unit	NOUN
eurjchem-2484	114	36	cell	cell	NOUN
eurjchem-2484	114	37	around	around	ADP
eurjchem-2484	114	38	the	the	DET
eurjchem-2484	114	39	molecule	molecule	NOUN
eurjchem-2484	114	40	.	.	PUNCT
eurjchem-2484	115	1	the	the	DET
eurjchem-2484	115	2	density	density	NOUN
eurjchem-2484	115	3	matrices	matrice	VERB
eurjchem-2484	115	4	for	for	ADP
eurjchem-2484	115	5	the	the	DET
eurjchem-2484	115	6	neighboring	neighboring	NOUN
eurjchem-2484	115	7	molecules	molecule	NOUN
eurjchem-2484	115	8	are	be	AUX
eurjchem-2484	115	9	generated	generate	VERB
eurjchem-2484	115	10	by	by	ADP
eurjchem-2484	115	11	applying	apply	VERB
eurjchem-2484	115	12	crystallographic	crystallographic	ADJ
eurjchem-2484	115	13	symmetry	symmetry	NOUN
eurjchem-2484	115	14	operations	operation	NOUN
eurjchem-2484	115	15	to	to	ADP
eurjchem-2484	115	16	the	the	DET
eurjchem-2484	115	17	density	density	NOUN
eurjchem-2484	115	18	matrix	matrix	NOUN
eurjchem-2484	115	19	of	of	ADP
eurjchem-2484	115	20	the	the	DET
eurjchem-2484	115	21	central	central	ADJ
eurjchem-2484	115	22	molecule	molecule	NOUN
eurjchem-2484	115	23	[	[	X
eurjchem-2484	115	24	18,19	18,19	NUM
eurjchem-2484	115	25	]	]	X
eurjchem-2484	115	26	.	.	PUNCT
eurjchem-2484	116	1	for	for	ADP
eurjchem-2484	116	2	each	each	DET
eurjchem-2484	116	3	component	component	NOUN
eurjchem-2484	116	4	of	of	ADP
eurjchem-2484	116	5	the	the	DET
eurjchem-2484	116	6	interaction	interaction	NOUN
eurjchem-2484	116	7	energy	energy	NOUN
eurjchem-2484	116	8	,	,	PUNCT
eurjchem-2484	116	9	the	the	DET
eurjchem-2484	116	10	scale	scale	NOUN
eurjchem-2484	116	11	parameters	parameter	NOUN
eurjchem-2484	116	12	have	have	AUX
eurjchem-2484	116	13	been	be	AUX
eurjchem-2484	116	14	optimized	optimize	VERB
eurjchem-2484	116	15	.	.	PUNCT
eurjchem-2484	117	1	2.7	2.7	NUM
eurjchem-2484	117	2	.	.	PUNCT
eurjchem-2484	118	1	computational	computational	ADJ
eurjchem-2484	118	2	details	detail	NOUN
eurjchem-2484	118	3	for	for	ADP
eurjchem-2484	118	4	quantum	quantum	ADJ
eurjchem-2484	118	5	chemical	chemical	NOUN
eurjchem-2484	118	6	calculations	calculation	NOUN
eurjchem-2484	118	7	in	in	ADP
eurjchem-2484	118	8	order	order	NOUN
eurjchem-2484	118	9	to	to	PART
eurjchem-2484	118	10	carry	carry	VERB
eurjchem-2484	118	11	out	out	ADP
eurjchem-2484	118	12	the	the	DET
eurjchem-2484	118	13	theoretical	theoretical	ADJ
eurjchem-2484	118	14	computation	computation	NOUN
eurjchem-2484	118	15	analysis	analysis	NOUN
eurjchem-2484	118	16	,	,	PUNCT
eurjchem-2484	118	17	the	the	DET
eurjchem-2484	118	18	molecular	molecular	ADJ
eurjchem-2484	118	19	geometry	geometry	NOUN
eurjchem-2484	118	20	of	of	ADP
eurjchem-2484	118	21	4	4	NUM
eurjchem-2484	118	22	-	-	PUNCT
eurjchem-2484	118	23	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	118	24	is	be	AUX
eurjchem-2484	118	25	taken	take	VERB
eurjchem-2484	118	26	from	from	ADP
eurjchem-2484	118	27	the	the	DET
eurjchem-2484	118	28	crystallographically	crystallographically	ADV
eurjchem-2484	118	29	obtained	obtain	VERB
eurjchem-2484	118	30	structural	structural	ADJ
eurjchem-2484	118	31	data	datum	NOUN
eurjchem-2484	118	32	.	.	PUNCT
eurjchem-2484	119	1	theoretical	theoretical	ADJ
eurjchem-2484	119	2	calculations	calculation	NOUN
eurjchem-2484	119	3	were	be	AUX
eurjchem-2484	119	4	performed	perform	VERB
eurjchem-2484	119	5	using	use	VERB
eurjchem-2484	119	6	the	the	DET
eurjchem-2484	119	7	gaussian	gaussian	ADJ
eurjchem-2484	119	8	09w	09w	NOUN
eurjchem-2484	119	9	software	software	NOUN
eurjchem-2484	119	10	package	package	NOUN
eurjchem-2484	119	11	[	[	X
eurjchem-2484	119	12	20	20	NUM
eurjchem-2484	119	13	]	]	PUNCT
eurjchem-2484	119	14	and	and	CCONJ
eurjchem-2484	119	15	gaussview6	gaussview6	PROPN
eurjchem-2484	119	16	molecular	molecular	ADJ
eurjchem-2484	119	17	visualization	visualization	NOUN
eurjchem-2484	119	18	program	program	NOUN
eurjchem-2484	119	19	[	[	X
eurjchem-2484	119	20	21	21	NUM
eurjchem-2484	119	21	]	]	PUNCT
eurjchem-2484	119	22	.	.	PUNCT
eurjchem-2484	120	1	the	the	DET
eurjchem-2484	120	2	calculations	calculation	NOUN
eurjchem-2484	120	3	were	be	AUX
eurjchem-2484	120	4	performed	perform	VERB
eurjchem-2484	120	5	using	use	VERB
eurjchem-2484	120	6	density	density	NOUN
eurjchem-2484	120	7	functional	functional	ADJ
eurjchem-2484	120	8	theory	theory	NOUN
eurjchem-2484	120	9	(	(	PUNCT
eurjchem-2484	120	10	dft	dft	PROPN
eurjchem-2484	120	11	)	)	PUNCT
eurjchem-2484	120	12	with	with	ADP
eurjchem-2484	120	13	a	a	DET
eurjchem-2484	120	14	hybrid	hybrid	ADJ
eurjchem-2484	120	15	function	function	NOUN
eurjchem-2484	120	16	b3lyp	b3lyp	SYM
eurjchem-2484	120	17	(	(	PUNCT
eurjchem-2484	120	18	becke	becke	NOUN
eurjchem-2484	120	19	’s	’s	PART
eurjchem-2484	120	20	threeparameter	threeparameter	ADJ
eurjchem-2484	120	21	hybrid	hybrid	ADJ
eurjchem-2484	120	22	functional	functional	ADJ
eurjchem-2484	120	23	using	use	VERB
eurjchem-2484	120	24	the	the	DET
eurjchem-2484	120	25	lyp	lyp	PROPN
eurjchem-2484	120	26	correlation	correlation	NOUN
eurjchem-2484	120	27	functional	functional	ADJ
eurjchem-2484	120	28	)	)	PUNCT
eurjchem-2484	121	1	[	[	X
eurjchem-2484	121	2	22,23	22,23	NOUN
eurjchem-2484	121	3	]	]	X
eurjchem-2484	121	4	at	at	ADP
eurjchem-2484	121	5	the	the	DET
eurjchem-2484	121	6	6	6	NUM
eurjchem-2484	121	7	-	-	SYM
eurjchem-2484	121	8	31	31	NUM
eurjchem-2484	121	9	g	g	NOUN
eurjchem-2484	121	10	basis	basis	NOUN
eurjchem-2484	121	11	set	set	VERB
eurjchem-2484	121	12	in	in	ADP
eurjchem-2484	121	13	the	the	DET
eurjchem-2484	121	14	gas	gas	NOUN
eurjchem-2484	121	15	phase	phase	NOUN
eurjchem-2484	121	16	.	.	PUNCT
eurjchem-2484	122	1	the	the	DET
eurjchem-2484	122	2	compound	compound	NOUN
eurjchem-2484	122	3	,	,	PUNCT
eurjchem-2484	122	4	4	4	NUM
eurjchem-2484	122	5	-	-	PUNCT
eurjchem-2484	122	6	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	122	7	,	,	PUNCT
eurjchem-2484	122	8	was	be	AUX
eurjchem-2484	122	9	first	first	ADV
eurjchem-2484	122	10	optimized	optimize	VERB
eurjchem-2484	122	11	geometrically	geometrically	ADV
eurjchem-2484	122	12	,	,	PUNCT
eurjchem-2484	122	13	and	and	CCONJ
eurjchem-2484	122	14	this	this	DET
eurjchem-2484	122	15	optimized	optimize	VERB
eurjchem-2484	122	16	geometry	geometry	NOUN
eurjchem-2484	122	17	was	be	AUX
eurjchem-2484	122	18	used	use	VERB
eurjchem-2484	122	19	to	to	PART
eurjchem-2484	122	20	perform	perform	VERB
eurjchem-2484	122	21	further	further	ADJ
eurjchem-2484	122	22	calculations	calculation	NOUN
eurjchem-2484	122	23	.	.	PUNCT
eurjchem-2484	123	1	the	the	DET
eurjchem-2484	123	2	vibrational	vibrational	ADJ
eurjchem-2484	123	3	spectra	spectra	NOUN
eurjchem-2484	123	4	,	,	PUNCT
eurjchem-2484	123	5	chemical	chemical	NOUN
eurjchem-2484	123	6	reactivity	reactivity	NOUN
eurjchem-2484	123	7	,	,	PUNCT
eurjchem-2484	123	8	homo	homo	NOUN
eurjchem-2484	123	9	and	and	CCONJ
eurjchem-2484	123	10	lumo	lumo	ADJ
eurjchem-2484	123	11	orbital	orbital	ADJ
eurjchem-2484	123	12	energies	energy	NOUN
eurjchem-2484	123	13	,	,	PUNCT
eurjchem-2484	123	14	molecular	molecular	ADJ
eurjchem-2484	123	15	electrostatic	electrostatic	ADJ
eurjchem-2484	123	16	potential	potential	NOUN
eurjchem-2484	123	17	,	,	PUNCT
eurjchem-2484	123	18	and	and	CCONJ
eurjchem-2484	123	19	thermodynamic	thermodynamic	ADJ
eurjchem-2484	123	20	properties	property	NOUN
eurjchem-2484	123	21	of	of	ADP
eurjchem-2484	123	22	4	4	NUM
eurjchem-2484	123	23	-	-	PUNCT
eurjchem-2484	123	24	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	123	25	were	be	AUX
eurjchem-2484	123	26	also	also	ADV
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eurjchem-2484	125	19	performed	perform	VERB
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eurjchem-2484	125	22	dft	dft	PROPN
eurjchem-2484	125	23	/	/	SYM
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eurjchem-2484	125	31	cah2po4·h2o	cah2po4·h2o	NOUN
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eurjchem-2484	125	39	]	]	PUNCT
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eurjchem-2484	126	11	1	1	NUM
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eurjchem-2484	126	13	(	(	PUNCT
eurjchem-2484	126	14	2024	2024	NUM
eurjchem-2484	126	15	)	)	PUNCT
eurjchem-2484	126	16	1	1	NUM
eurjchem-2484	126	17	-	-	SYM
eurjchem-2484	126	18	16	16	NUM
eurjchem-2484	126	19	2024	2024	NUM
eurjchem-2484	126	20	–	–	PUNCT
eurjchem-2484	126	21	european	european	ADJ
eurjchem-2484	126	22	journal	journal	NOUN
eurjchem-2484	126	23	of	of	ADP
eurjchem-2484	126	24	chemistry	chemistry	NOUN
eurjchem-2484	126	25	–	–	PUNCT
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eurjchem-2484	126	28	nc	nc	PROPN
eurjchem-2484	126	29	–	–	PUNCT
eurjchem-2484	126	30	doi	doi	PROPN
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eurjchem-2484	127	16	)	)	PUNCT
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eurjchem-2484	127	20	)	)	PUNCT
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eurjchem-2484	127	22	o5a	o5a	PROPN
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eurjchem-2484	127	24	)	)	PUNCT
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eurjchem-2484	127	26	c6	c6	PROPN
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eurjchem-2484	127	28	)	)	PUNCT
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eurjchem-2484	128	20	)	)	PUNCT
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eurjchem-2484	129	2	c1a	c1a	X
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eurjchem-2484	129	4	)	)	PUNCT
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eurjchem-2484	129	36	)	)	PUNCT
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eurjchem-2484	129	38	c1a	c1a	PROPN
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eurjchem-2484	129	48	)	)	PUNCT
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eurjchem-2484	129	85	o5a	o5a	CCONJ
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eurjchem-2484	129	90	c1	c1	PROPN
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eurjchem-2484	129	107	)	)	PUNCT
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eurjchem-2484	130	2	c1a	c1a	X
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eurjchem-2484	130	5	o3a	o3a	VERB
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eurjchem-2484	130	7	o5a	o5a	CCONJ
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eurjchem-2484	130	9	)	)	PUNCT
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eurjchem-2484	130	17	o4a	o4a	ADV
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eurjchem-2484	131	7	o5a	o5a	CCONJ
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eurjchem-2484	131	9	)	)	PUNCT
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eurjchem-2484	132	2	n1a	n1a	NOUN
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eurjchem-2484	132	7	o5	o5	PROPN
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eurjchem-2484	132	41	c4	c4	PROPN
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eurjchem-2484	132	46	p1	p1	PROPN
eurjchem-2484	132	47	o5	o5	PROPN
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eurjchem-2484	132	52	c5	c5	PROPN
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eurjchem-2484	132	76	c5	c5	PROPN
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eurjchem-2484	132	81	c1a	c1a	X
eurjchem-2484	132	82	c2a	c2a	ADP
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eurjchem-2484	132	84	)	)	PUNCT
eurjchem-2484	132	85	c6	c6	PROPN
eurjchem-2484	132	86	c5	c5	PROPN
eurjchem-2484	132	87	n1	n1	PROPN
eurjchem-2484	132	88	119.29(17	119.29(17	NUM
eurjchem-2484	132	89	)	)	PUNCT
eurjchem-2484	132	90	c2a	c2a	AUX
eurjchem-2484	132	91	c3a	c3a	X
eurjchem-2484	132	92	c4a	c4a	ADJ
eurjchem-2484	132	93	120.32(18	120.32(18	NOUN
eurjchem-2484	132	94	)	)	PUNCT
eurjchem-2484	132	95	o2	o2	PROPN
eurjchem-2484	132	96	c1	c1	PROPN
eurjchem-2484	132	97	c2	c2	PROPN
eurjchem-2484	132	98	114.40(17	114.40(17	NUM
eurjchem-2484	132	99	)	)	PUNCT
eurjchem-2484	132	100	c7a	c7a	NOUN
eurjchem-2484	132	101	c6a	c6a	NOUN
eurjchem-2484	132	102	c5a	c5a	NOUN
eurjchem-2484	132	103	118.90(19	118.90(19	NUM
eurjchem-2484	132	104	)	)	PUNCT
eurjchem-2484	132	105	o1	o1	NOUN
eurjchem-2484	132	106	c1	c1	NOUN
eurjchem-2484	132	107	o2	o2	PROPN
eurjchem-2484	132	108	124.58(19	124.58(19	NUM
eurjchem-2484	132	109	)	)	PUNCT
eurjchem-2484	132	110	c4	c4	NOUN
eurjchem-2484	132	111	c3	c3	PROPN
eurjchem-2484	132	112	c2	c2	PROPN
eurjchem-2484	132	113	120.23(18	120.23(18	NUM
eurjchem-2484	132	114	)	)	PUNCT
eurjchem-2484	132	115	o1	o1	PROPN
eurjchem-2484	132	116	c1	c1	PROPN
eurjchem-2484	132	117	c2	c2	PROPN
eurjchem-2484	132	118	121.02(19	121.02(19	NUM
eurjchem-2484	132	119	)	)	PUNCT
eurjchem-2484	132	120	c5a	c5a	ADP
eurjchem-2484	132	121	c4a	c4a	ADJ
eurjchem-2484	132	122	c3a	c3a	X
eurjchem-2484	132	123	119.34(19	119.34(19	NUM
eurjchem-2484	132	124	)	)	PUNCT
eurjchem-2484	133	1	c7	c7	PROPN
eurjchem-2484	133	2	c2	c2	PROPN
eurjchem-2484	133	3	c1	c1	PROPN
eurjchem-2484	133	4	119.21(17	119.21(17	PROPN
eurjchem-2484	133	5	)	)	PUNCT
eurjchem-2484	133	6	c6a	c6a	NOUN
eurjchem-2484	133	7	c7a	c7a	NOUN
eurjchem-2484	133	8	c2a	c2a	PROPN
eurjchem-2484	133	9	120.53(19	120.53(19	NUM
eurjchem-2484	133	10	)	)	PUNCT
eurjchem-2484	133	11	table	table	NOUN
eurjchem-2484	133	12	3	3	NUM
eurjchem-2484	133	13	.	.	PUNCT
eurjchem-2484	133	14	inter	inter	ADJ
eurjchem-2484	133	15	-	-	ADJ
eurjchem-2484	133	16	atomic	atomic	ADJ
eurjchem-2484	133	17	bond	bond	NOUN
eurjchem-2484	133	18	distances	distance	NOUN
eurjchem-2484	133	19	(	(	PUNCT
eurjchem-2484	133	20	å	å	NOUN
eurjchem-2484	133	21	)	)	PUNCT
eurjchem-2484	133	22	and	and	CCONJ
eurjchem-2484	133	23	angles	angle	NOUN
eurjchem-2484	133	24	(	(	PUNCT
eurjchem-2484	133	25	°	°	NOUN
eurjchem-2484	133	26	)	)	PUNCT
eurjchem-2484	133	27	in	in	ADP
eurjchem-2484	133	28	4	4	NUM
eurjchem-2484	133	29	-	-	PUNCT
eurjchem-2484	133	30	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	133	31	.	.	PUNCT
eurjchem-2484	134	1	d	d	X
eurjchem-2484	134	2	-	-	PUNCT
eurjchem-2484	134	3	h···a	h···a	ADJ
eurjchem-2484	134	4	d(d	d(d	PROPN
eurjchem-2484	134	5	-	-	PUNCT
eurjchem-2484	134	6	h	h	NOUN
eurjchem-2484	134	7	)	)	PUNCT
eurjchem-2484	134	8	d(h···a	d(h···a	NOUN
eurjchem-2484	134	9	)	)	PUNCT
eurjchem-2484	134	10	d(d···a	d(d···a	NOUN
eurjchem-2484	134	11	)	)	PUNCT
eurjchem-2484	135	1	<	<	X
eurjchem-2484	135	2	d	d	X
eurjchem-2484	135	3	-	-	PUNCT
eurjchem-2484	135	4	h··a	h··a	NOUN
eurjchem-2484	135	5	o4	o4	PROPN
eurjchem-2484	135	6	-	-	PUNCT
eurjchem-2484	135	7	h4b···o5	h4b···o5	PROPN
eurjchem-2484	135	8	0.82	0.82	NUM
eurjchem-2484	135	9	1.80	1.80	NUM
eurjchem-2484	135	10	2.555(3	2.555(3	NUM
eurjchem-2484	135	11	)	)	PUNCT
eurjchem-2484	135	12	152.7	152.7	NUM
eurjchem-2484	135	13	1+x	1+x	NUM
eurjchem-2484	135	14	,	,	PUNCT
eurjchem-2484	135	15	+	+	NOUN
eurjchem-2484	135	16	y	y	PROPN
eurjchem-2484	135	17	,	,	PUNCT
eurjchem-2484	135	18	+	+	NOUN
eurjchem-2484	135	19	z	z	NOUN
eurjchem-2484	135	20	o4a	o4a	NOUN
eurjchem-2484	135	21	-	-	PUNCT
eurjchem-2484	135	22	h4aa···o5a	h4aa···o5a	NOUN
eurjchem-2484	135	23	0.82	0.82	NUM
eurjchem-2484	135	24	1.78	1.78	NUM
eurjchem-2484	135	25	2.544(3	2.544(3	NUM
eurjchem-2484	135	26	)	)	PUNCT
eurjchem-2484	135	27	154.6	154.6	NUM
eurjchem-2484	135	28	1+x	1+x	NUM
eurjchem-2484	135	29	,	,	PUNCT
eurjchem-2484	135	30	+	+	NOUN
eurjchem-2484	135	31	y	y	PROPN
eurjchem-2484	135	32	,	,	PUNCT
eurjchem-2484	135	33	+	+	ADJ
eurjchem-2484	135	34	z	z	NOUN
eurjchem-2484	135	35	n1	n1	NOUN
eurjchem-2484	135	36	-	-	PUNCT
eurjchem-2484	135	37	h1a···o5a	h1a···o5a	PROPN
eurjchem-2484	135	38	0.89	0.89	NUM
eurjchem-2484	135	39	1.88	1.88	NUM
eurjchem-2484	135	40	2.767(3	2.767(3	NUM
eurjchem-2484	135	41	)	)	PUNCT
eurjchem-2484	136	1	171.6	171.6	NUM
eurjchem-2484	136	2	1	1	NUM
eurjchem-2484	136	3	-	-	PUNCT
eurjchem-2484	136	4	x	x	NOUN
eurjchem-2484	136	5	,	,	PUNCT
eurjchem-2484	136	6	3	3	PROPN
eurjchem-2484	136	7	-	-	SYM
eurjchem-2484	136	8	y	y	PROPN
eurjchem-2484	136	9	,	,	PUNCT
eurjchem-2484	136	10	-z	-z	X
eurjchem-2484	136	11	n1	n1	PROPN
eurjchem-2484	136	12	-	-	PUNCT
eurjchem-2484	136	13	h1b···o3	h1b···o3	PROPN
eurjchem-2484	136	14	0.89	0.89	NUM
eurjchem-2484	136	15	1.89	1.89	NUM
eurjchem-2484	136	16	2.771(3	2.771(3	NUM
eurjchem-2484	136	17	)	)	PUNCT
eurjchem-2484	136	18	168.6	168.6	NUM
eurjchem-2484	136	19	n1a	n1a	NUM
eurjchem-2484	136	20	-	-	PUNCT
eurjchem-2484	136	21	h1ac···o3a	h1ac···o3a	NOUN
eurjchem-2484	136	22	0.89	0.89	NUM
eurjchem-2484	136	23	1.92	1.92	NUM
eurjchem-2484	136	24	2.786(3	2.786(3	NUM
eurjchem-2484	136	25	)	)	PUNCT
eurjchem-2484	136	26	164.2	164.2	NUM
eurjchem-2484	136	27	1	1	NUM
eurjchem-2484	136	28	-	-	PUNCT
eurjchem-2484	136	29	x	x	NOUN
eurjchem-2484	136	30	,	,	PUNCT
eurjchem-2484	136	31	3	3	PROPN
eurjchem-2484	136	32	-	-	SYM
eurjchem-2484	136	33	y	y	PROPN
eurjchem-2484	136	34	,	,	PUNCT
eurjchem-2484	136	35	-z	-z	PRON
eurjchem-2484	136	36	n1a	n1a	PROPN
eurjchem-2484	136	37	-	-	PUNCT
eurjchem-2484	136	38	h1ad···o5	h1ad···o5	PROPN
eurjchem-2484	136	39	0.89	0.89	NUM
eurjchem-2484	136	40	1.87	1.87	NUM
eurjchem-2484	136	41	2.754(3	2.754(3	NUM
eurjchem-2484	136	42	)	)	PUNCT
eurjchem-2484	136	43	173.2	173.2	NUM
eurjchem-2484	136	44	1+x	1+x	NUM
eurjchem-2484	136	45	,	,	PUNCT
eurjchem-2484	136	46	+	+	NOUN
eurjchem-2484	136	47	y	y	PROPN
eurjchem-2484	136	48	,	,	PUNCT
eurjchem-2484	136	49	+	+	NOUN
eurjchem-2484	136	50	z	z	NOUN
eurjchem-2484	136	51	3	3	NUM
eurjchem-2484	136	52	.	.	NOUN
eurjchem-2484	136	53	results	result	NOUN
eurjchem-2484	136	54	and	and	CCONJ
eurjchem-2484	136	55	discussions	discussion	NOUN
eurjchem-2484	136	56	3.1	3.1	NUM
eurjchem-2484	136	57	.	.	PUNCT
eurjchem-2484	137	1	single	single	ADJ
eurjchem-2484	137	2	crystal	crystal	PROPN
eurjchem-2484	137	3	x	x	PROPN
eurjchem-2484	137	4	-	-	NOUN
eurjchem-2484	137	5	ray	ray	NOUN
eurjchem-2484	137	6	diffraction	diffraction	NOUN
eurjchem-2484	137	7	the	the	DET
eurjchem-2484	137	8	single	single	ADJ
eurjchem-2484	137	9	crystal	crystal	NOUN
eurjchem-2484	137	10	structure	structure	NOUN
eurjchem-2484	137	11	of	of	ADP
eurjchem-2484	137	12	4	4	NUM
eurjchem-2484	137	13	-	-	PUNCT
eurjchem-2484	137	14	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	137	15	dihydrogen	dihydrogen	NOUN
eurjchem-2484	137	16	phosphate	phosphate	NOUN
eurjchem-2484	137	17	monohydrate	monohydrate	NOUN
eurjchem-2484	137	18	(	(	PUNCT
eurjchem-2484	137	19	4	4	NUM
eurjchem-2484	137	20	-	-	PUNCT
eurjchem-2484	137	21	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	137	22	)	)	PUNCT
eurjchem-2484	137	23	was	be	AUX
eurjchem-2484	137	24	obtained	obtain	VERB
eurjchem-2484	137	25	at	at	ADP
eurjchem-2484	137	26	293	293	NUM
eurjchem-2484	137	27	k.	k.	NOUN
eurjchem-2484	138	1	the	the	DET
eurjchem-2484	138	2	bond	bond	NOUN
eurjchem-2484	138	3	distance	distance	NOUN
eurjchem-2484	138	4	and	and	CCONJ
eurjchem-2484	138	5	angles	angle	NOUN
eurjchem-2484	138	6	of	of	ADP
eurjchem-2484	138	7	4cah2po4·h2o	4cah2po4·h2o	NUM
eurjchem-2484	138	8	are	be	AUX
eurjchem-2484	138	9	given	give	VERB
eurjchem-2484	138	10	in	in	ADP
eurjchem-2484	138	11	table	table	NOUN
eurjchem-2484	138	12	2	2	NUM
eurjchem-2484	138	13	.	.	PUNCT
eurjchem-2484	139	1	the	the	DET
eurjchem-2484	139	2	selected	select	VERB
eurjchem-2484	139	3	distances	distance	NOUN
eurjchem-2484	139	4	and	and	CCONJ
eurjchem-2484	139	5	angles	angle	NOUN
eurjchem-2484	139	6	of	of	ADP
eurjchem-2484	139	7	the	the	DET
eurjchem-2484	139	8	interatomic	interatomic	ADJ
eurjchem-2484	139	9	bonds	bond	NOUN
eurjchem-2484	139	10	of	of	ADP
eurjchem-2484	139	11	4	4	NUM
eurjchem-2484	139	12	-	-	PUNCT
eurjchem-2484	139	13	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	139	14	are	be	AUX
eurjchem-2484	139	15	given	give	VERB
eurjchem-2484	139	16	in	in	ADP
eurjchem-2484	139	17	table	table	NOUN
eurjchem-2484	139	18	3	3	NUM
eurjchem-2484	139	19	.	.	PUNCT
eurjchem-2484	140	1	the	the	DET
eurjchem-2484	140	2	ortep	ortep	NOUN
eurjchem-2484	140	3	drawing	drawing	NOUN
eurjchem-2484	140	4	of	of	ADP
eurjchem-2484	140	5	the	the	DET
eurjchem-2484	140	6	asymmetric	asymmetric	ADJ
eurjchem-2484	140	7	unit	unit	NOUN
eurjchem-2484	140	8	of	of	ADP
eurjchem-2484	140	9	4cah2po4·h2o	4cah2po4·h2o	NUM
eurjchem-2484	140	10	with	with	ADP
eurjchem-2484	140	11	the	the	DET
eurjchem-2484	140	12	numbering	numbering	NOUN
eurjchem-2484	140	13	scheme	scheme	NOUN
eurjchem-2484	140	14	and	and	CCONJ
eurjchem-2484	140	15	hydrogen	hydrogen	NOUN
eurjchem-2484	140	16	bond	bond	NOUN
eurjchem-2484	140	17	is	be	AUX
eurjchem-2484	140	18	given	give	VERB
eurjchem-2484	140	19	in	in	ADP
eurjchem-2484	140	20	figure	figure	NOUN
eurjchem-2484	140	21	1	1	NUM
eurjchem-2484	140	22	[	[	X
eurjchem-2484	140	23	25	25	NUM
eurjchem-2484	140	24	]	]	PUNCT
eurjchem-2484	140	25	.	.	PUNCT
eurjchem-2484	141	1	in	in	ADP
eurjchem-2484	141	2	the	the	DET
eurjchem-2484	141	3	crystal	crystal	NOUN
eurjchem-2484	141	4	structure	structure	NOUN
eurjchem-2484	141	5	,	,	PUNCT
eurjchem-2484	141	6	the	the	DET
eurjchem-2484	141	7	transfer	transfer	NOUN
eurjchem-2484	141	8	of	of	ADP
eurjchem-2484	141	9	a	a	DET
eurjchem-2484	141	10	proton	proton	NOUN
eurjchem-2484	141	11	from	from	ADP
eurjchem-2484	141	12	the	the	DET
eurjchem-2484	141	13	inorganic	inorganic	ADJ
eurjchem-2484	141	14	acid	acid	NOUN
eurjchem-2484	141	15	results	result	NOUN
eurjchem-2484	141	16	in	in	ADP
eurjchem-2484	141	17	the	the	DET
eurjchem-2484	141	18	protonation	protonation	NOUN
eurjchem-2484	141	19	of	of	ADP
eurjchem-2484	141	20	the	the	DET
eurjchem-2484	141	21	amino	amino	NOUN
eurjchem-2484	141	22	group	group	NOUN
eurjchem-2484	141	23	(	(	PUNCT
eurjchem-2484	141	24	nh2	nh2	PROPN
eurjchem-2484	141	25	)	)	PUNCT
eurjchem-2484	141	26	of	of	ADP
eurjchem-2484	141	27	4	4	NUM
eurjchem-2484	141	28	-	-	PUNCT
eurjchem-2484	141	29	aba	aba	NOUN
eurjchem-2484	141	30	and	and	CCONJ
eurjchem-2484	141	31	forms	form	VERB
eurjchem-2484	141	32	the	the	DET
eurjchem-2484	141	33	4carboxyanilinium	4carboxyanilinium	NUM
eurjchem-2484	141	34	cation	cation	NOUN
eurjchem-2484	141	35	(	(	PUNCT
eurjchem-2484	141	36	with	with	ADP
eurjchem-2484	141	37	+1	+1	PROPN
eurjchem-2484	141	38	charge	charge	NOUN
eurjchem-2484	141	39	)	)	PUNCT
eurjchem-2484	141	40	.	.	PUNCT
eurjchem-2484	142	1	therefore	therefore	ADV
eurjchem-2484	142	2	,	,	PUNCT
eurjchem-2484	142	3	the	the	DET
eurjchem-2484	142	4	chemical	chemical	NOUN
eurjchem-2484	142	5	formula	formula	NOUN
eurjchem-2484	142	6	of	of	ADP
eurjchem-2484	142	7	4	4	NUM
eurjchem-2484	142	8	-	-	PUNCT
eurjchem-2484	142	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	142	10	is	be	AUX
eurjchem-2484	142	11	2(nh3+c6h4cooh	2(nh3+c6h4cooh	NUM
eurjchem-2484	142	12	):	):	PUNCT
eurjchem-2484	142	13	2(h2po4–):2h2o	2(h2po4–):2h2o	NUM
eurjchem-2484	142	14	.	.	PUNCT
eurjchem-2484	143	1	3.1.1	3.1.1	NUM
eurjchem-2484	143	2	.	.	X
eurjchem-2484	143	3	4	4	NUM
eurjchem-2484	143	4	-	-	PUNCT
eurjchem-2484	143	5	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	143	6	dihydrogen	dihydrogen	NOUN
eurjchem-2484	143	7	phosphate	phosphate	NOUN
eurjchem-2484	143	8	monohydrate	monohydrate	PROPN
eurjchem-2484	143	9	crystal	crystal	NOUN
eurjchem-2484	143	10	structure	structure	NOUN
eurjchem-2484	143	11	and	and	CCONJ
eurjchem-2484	143	12	packing	pack	VERB
eurjchem-2484	143	13	at	at	ADP
eurjchem-2484	143	14	293	293	NUM
eurjchem-2484	143	15	k	k	NOUN
eurjchem-2484	143	16	4	4	NUM
eurjchem-2484	143	17	-	-	PUNCT
eurjchem-2484	143	18	cah2po4·h2o	cah2po4·h2o	PROPN
eurjchem-2484	143	19	crystal	crystal	NOUN
eurjchem-2484	143	20	structure	structure	NOUN
eurjchem-2484	143	21	belongs	belong	VERB
eurjchem-2484	143	22	to	to	ADP
eurjchem-2484	143	23	the	the	DET
eurjchem-2484	143	24	triclinic	triclinic	ADJ
eurjchem-2484	143	25	space	space	NOUN
eurjchem-2484	143	26	group	group	NOUN
eurjchem-2484	143	27	p-1	p-1	NOUN
eurjchem-2484	143	28	,	,	PUNCT
eurjchem-2484	143	29	z	z	NOUN
eurjchem-2484	143	30	=	=	NOUN
eurjchem-2484	143	31	4	4	NUM
eurjchem-2484	143	32	,	,	PUNCT
eurjchem-2484	143	33	with	with	ADP
eurjchem-2484	143	34	two	two	NUM
eurjchem-2484	143	35	molecules	molecule	NOUN
eurjchem-2484	143	36	each	each	PRON
eurjchem-2484	143	37	of	of	ADP
eurjchem-2484	143	38	4carboxyanilinium	4carboxyanilinium	NUM
eurjchem-2484	143	39	cations	cation	NOUN
eurjchem-2484	143	40	,	,	PUNCT
eurjchem-2484	143	41	dihydrogen	dihydrogen	NOUN
eurjchem-2484	143	42	phosphate	phosphate	NOUN
eurjchem-2484	143	43	anions	anion	NOUN
eurjchem-2484	143	44	(	(	PUNCT
eurjchem-2484	143	45	h2po4	h2po4	NOUN
eurjchem-2484	143	46	–	–	PUNCT
eurjchem-2484	143	47	)	)	PUNCT
eurjchem-2484	143	48	and	and	CCONJ
eurjchem-2484	143	49	water	water	NOUN
eurjchem-2484	143	50	in	in	ADP
eurjchem-2484	143	51	an	an	DET
eurjchem-2484	143	52	asymmetric	asymmetric	ADJ
eurjchem-2484	143	53	unit	unit	NOUN
eurjchem-2484	143	54	(	(	PUNCT
eurjchem-2484	143	55	figure	figure	NOUN
eurjchem-2484	143	56	1	1	NUM
eurjchem-2484	143	57	)	)	PUNCT
eurjchem-2484	143	58	.	.	PUNCT
eurjchem-2484	144	1	the	the	DET
eurjchem-2484	144	2	crystal	crystal	NOUN
eurjchem-2484	144	3	structure	structure	NOUN
eurjchem-2484	144	4	view	view	NOUN
eurjchem-2484	144	5	of	of	ADP
eurjchem-2484	144	6	4	4	NUM
eurjchem-2484	144	7	-	-	PUNCT
eurjchem-2484	144	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	144	9	along	along	ADP
eurjchem-2484	144	10	the	the	DET
eurjchem-2484	144	11	a	a	DET
eurjchem-2484	144	12	-	-	PUNCT
eurjchem-2484	144	13	axis	axis	NOUN
eurjchem-2484	144	14	is	be	AUX
eurjchem-2484	144	15	shown	show	VERB
eurjchem-2484	144	16	in	in	ADP
eurjchem-2484	144	17	figure	figure	NOUN
eurjchem-2484	144	18	2a	2a	NUM
eurjchem-2484	144	19	.	.	PUNCT
eurjchem-2484	145	1	it	it	PRON
eurjchem-2484	145	2	forms	form	VERB
eurjchem-2484	145	3	an	an	DET
eurjchem-2484	145	4	alternate	alternate	ADJ
eurjchem-2484	145	5	organic	organic	ADJ
eurjchem-2484	145	6	and	and	CCONJ
eurjchem-2484	145	7	inorganic	inorganic	ADJ
eurjchem-2484	145	8	layered	layered	ADJ
eurjchem-2484	145	9	structure	structure	NOUN
eurjchem-2484	145	10	that	that	PRON
eurjchem-2484	145	11	is	be	AUX
eurjchem-2484	145	12	parallel	parallel	ADJ
eurjchem-2484	145	13	to	to	ADP
eurjchem-2484	145	14	the	the	DET
eurjchem-2484	145	15	(	(	PUNCT
eurjchem-2484	145	16	100	100	NUM
eurjchem-2484	145	17	)	)	PUNCT
eurjchem-2484	145	18	plane	plane	NOUN
eurjchem-2484	145	19	(	(	PUNCT
eurjchem-2484	145	20	figure	figure	NOUN
eurjchem-2484	145	21	2	2	NUM
eurjchem-2484	145	22	)	)	PUNCT
eurjchem-2484	145	23	.	.	PUNCT
eurjchem-2484	146	1	these	these	DET
eurjchem-2484	146	2	layers	layer	NOUN
eurjchem-2484	146	3	contain	contain	VERB
eurjchem-2484	146	4	crystallographically	crystallographically	ADV
eurjchem-2484	146	5	independent	independent	ADJ
eurjchem-2484	146	6	4carboxyanilinium	4carboxyanilinium	NUM
eurjchem-2484	146	7	cations	cation	NOUN
eurjchem-2484	146	8	(	(	PUNCT
eurjchem-2484	146	9	in	in	ADP
eurjchem-2484	146	10	the	the	DET
eurjchem-2484	146	11	organic	organic	ADJ
eurjchem-2484	146	12	layer	layer	NOUN
eurjchem-2484	146	13	)	)	PUNCT
eurjchem-2484	146	14	and	and	CCONJ
eurjchem-2484	146	15	dihydrogen	dihydrogen	NOUN
eurjchem-2484	146	16	phosphate	phosphate	NOUN
eurjchem-2484	146	17	anions	anion	NOUN
eurjchem-2484	146	18	(	(	PUNCT
eurjchem-2484	146	19	h2po4	h2po4	NOUN
eurjchem-2484	146	20	–	–	PUNCT
eurjchem-2484	146	21	)	)	PUNCT
eurjchem-2484	146	22	and	and	CCONJ
eurjchem-2484	146	23	water	water	NOUN
eurjchem-2484	146	24	molecules	molecule	NOUN
eurjchem-2484	146	25	(	(	PUNCT
eurjchem-2484	146	26	in	in	ADP
eurjchem-2484	146	27	the	the	DET
eurjchem-2484	146	28	inorganic	inorganic	ADJ
eurjchem-2484	146	29	layer	layer	NOUN
eurjchem-2484	146	30	)	)	PUNCT
eurjchem-2484	146	31	which	which	PRON
eurjchem-2484	146	32	are	be	AUX
eurjchem-2484	146	33	stabilized	stabilize	VERB
eurjchem-2484	146	34	by	by	ADP
eurjchem-2484	146	35	an	an	DET
eurjchem-2484	146	36	ionic	ionic	ADJ
eurjchem-2484	146	37	and	and	CCONJ
eurjchem-2484	146	38	threedimensional	threedimensional	ADJ
eurjchem-2484	146	39	network	network	NOUN
eurjchem-2484	146	40	of	of	ADP
eurjchem-2484	146	41	hydrogen	hydrogen	NOUN
eurjchem-2484	146	42	bonds	bond	NOUN
eurjchem-2484	146	43	between	between	ADP
eurjchem-2484	146	44	the	the	DET
eurjchem-2484	146	45	4carboxyanilinium	4carboxyanilinium	NUM
eurjchem-2484	146	46	cations	cation	NOUN
eurjchem-2484	146	47	and	and	CCONJ
eurjchem-2484	146	48	dihydrogen	dihydrogen	NOUN
eurjchem-2484	146	49	phosphate	phosphate	NOUN
eurjchem-2484	146	50	anions	anion	NOUN
eurjchem-2484	146	51	and	and	CCONJ
eurjchem-2484	146	52	water	water	NOUN
eurjchem-2484	146	53	molecule	molecule	NOUN
eurjchem-2484	146	54	.	.	PUNCT
eurjchem-2484	147	1	the	the	DET
eurjchem-2484	147	2	phosphorus	phosphorus	NOUN
eurjchem-2484	147	3	atom	atom	NOUN
eurjchem-2484	147	4	in	in	ADP
eurjchem-2484	147	5	dihydrogen	dihydrogen	NOUN
eurjchem-2484	147	6	phosphate	phosphate	NOUN
eurjchem-2484	147	7	(	(	PUNCT
eurjchem-2484	147	8	h2po4	h2po4	NOUN
eurjchem-2484	147	9	–	–	PUNCT
eurjchem-2484	147	10	)	)	PUNCT
eurjchem-2484	147	11	anions	anion	NOUN
eurjchem-2484	147	12	is	be	AUX
eurjchem-2484	147	13	tetrahedrally	tetrahedrally	ADV
eurjchem-2484	147	14	bonded	bond	VERB
eurjchem-2484	147	15	to	to	ADP
eurjchem-2484	147	16	two	two	NUM
eurjchem-2484	147	17	oxygen	oxygen	NOUN
eurjchem-2484	147	18	and	and	CCONJ
eurjchem-2484	147	19	two	two	NUM
eurjchem-2484	147	20	oh	oh	NUM
eurjchem-2484	147	21	groups	group	NOUN
eurjchem-2484	147	22	.	.	PUNCT
eurjchem-2484	148	1	the	the	DET
eurjchem-2484	148	2	lengths	length	NOUN
eurjchem-2484	148	3	of	of	ADP
eurjchem-2484	148	4	the	the	DET
eurjchem-2484	148	5	p	p	PROPN
eurjchem-2484	148	6	-	-	PUNCT
eurjchem-2484	148	7	o	o	NOUN
eurjchem-2484	148	8	bonds	bond	NOUN
eurjchem-2484	148	9	where	where	SCONJ
eurjchem-2484	148	10	the	the	DET
eurjchem-2484	148	11	p	p	PROPN
eurjchem-2484	148	12	atom	atom	NOUN
eurjchem-2484	148	13	is	be	AUX
eurjchem-2484	148	14	connected	connect	VERB
eurjchem-2484	148	15	to	to	ADP
eurjchem-2484	148	16	o	o	PROPN
eurjchem-2484	148	17	are	be	AUX
eurjchem-2484	148	18	in	in	ADP
eurjchem-2484	148	19	the	the	DET
eurjchem-2484	148	20	range	range	NOUN
eurjchem-2484	148	21	1.5063(15	1.5063(15	NUM
eurjchem-2484	148	22	)	)	PUNCT
eurjchem-2484	148	23	å	å	NOUN
eurjchem-2484	148	24	to	to	ADP
eurjchem-2484	148	25	1.5086(15	1.5086(15	NUM
eurjchem-2484	148	26	)	)	PUNCT
eurjchem-2484	148	27	å	å	NOUN
eurjchem-2484	148	28	.	.	PUNCT
eurjchem-2484	149	1	for	for	ADP
eurjchem-2484	149	2	p	p	NOUN
eurjchem-2484	149	3	atom	atom	NOUN
eurjchem-2484	149	4	bond	bond	NOUN
eurjchem-2484	149	5	to	to	ADP
eurjchem-2484	149	6	oh	oh	PROPN
eurjchem-2484	149	7	group	group	NOUN
eurjchem-2484	149	8	,	,	PUNCT
eurjchem-2484	149	9	the	the	DET
eurjchem-2484	149	10	p	p	PROPN
eurjchem-2484	149	11	-	-	PUNCT
eurjchem-2484	149	12	o	o	NOUN
eurjchem-2484	149	13	lengths	length	NOUN
eurjchem-2484	149	14	are	be	AUX
eurjchem-2484	149	15	in	in	ADP
eurjchem-2484	149	16	the	the	DET
eurjchem-2484	149	17	range	range	NOUN
eurjchem-2484	149	18	1.5712(15	1.5712(15	NUM
eurjchem-2484	149	19	)	)	PUNCT
eurjchem-2484	149	20	to	to	ADP
eurjchem-2484	149	21	1.5689(14	1.5689(14	NUM
eurjchem-2484	149	22	)	)	PUNCT
eurjchem-2484	149	23	å	å	NOUN
eurjchem-2484	149	24	.	.	PUNCT
eurjchem-2484	150	1	as	as	SCONJ
eurjchem-2484	150	2	expected	expect	VERB
eurjchem-2484	150	3	,	,	PUNCT
eurjchem-2484	150	4	the	the	DET
eurjchem-2484	150	5	protonated	protonate	VERB
eurjchem-2484	150	6	p	p	NOUN
eurjchem-2484	150	7	-	-	PUNCT
eurjchem-2484	150	8	o	o	NOUN
eurjchem-2484	150	9	link	link	NOUN
eurjchem-2484	150	10	is	be	AUX
eurjchem-2484	150	11	significantly	significantly	ADV
eurjchem-2484	150	12	longer	long	ADJ
eurjchem-2484	150	13	than	than	ADP
eurjchem-2484	150	14	that	that	PRON
eurjchem-2484	150	15	of	of	ADP
eurjchem-2484	150	16	the	the	DET
eurjchem-2484	150	17	unprotonated	unprotonated	ADJ
eurjchem-2484	150	18	bonds	bond	NOUN
eurjchem-2484	150	19	.	.	PUNCT
eurjchem-2484	151	1	the	the	DET
eurjchem-2484	151	2	o	o	ADJ
eurjchem-2484	151	3	-	-	ADJ
eurjchem-2484	151	4	p	p	ADJ
eurjchem-2484	151	5	-	-	PUNCT
eurjchem-2484	151	6	o	o	NOUN
eurjchem-2484	151	7	bond	bond	NOUN
eurjchem-2484	151	8	angles	angle	NOUN
eurjchem-2484	151	9	of	of	ADP
eurjchem-2484	151	10	h2po4	h2po4	NOUN
eurjchem-2484	151	11	–	–	PUNCT
eurjchem-2484	151	12	anions	anion	NOUN
eurjchem-2484	151	13	are	be	AUX
eurjchem-2484	151	14	in	in	ADP
eurjchem-2484	151	15	the	the	DET
eurjchem-2484	151	16	range	range	NOUN
eurjchem-2484	151	17	106.04(8	106.04(8	NUM
eurjchem-2484	151	18	)	)	PUNCT
eurjchem-2484	151	19	°	°	ADP
eurjchem-2484	151	20	to	to	ADP
eurjchem-2484	151	21	115.05(9)	115.05(9)	NUM
eurjchem-2484	151	22	°	°	PROPN
eurjchem-2484	151	23	.	.	PUNCT
eurjchem-2484	152	1	these	these	DET
eurjchem-2484	152	2	lengths	length	NOUN
eurjchem-2484	152	3	and	and	CCONJ
eurjchem-2484	152	4	angles	angle	NOUN
eurjchem-2484	152	5	of	of	ADP
eurjchem-2484	152	6	the	the	DET
eurjchem-2484	152	7	bonds	bond	NOUN
eurjchem-2484	152	8	are	be	AUX
eurjchem-2484	152	9	in	in	ADP
eurjchem-2484	152	10	good	good	ADJ
eurjchem-2484	152	11	agreement	agreement	NOUN
eurjchem-2484	152	12	with	with	ADP
eurjchem-2484	152	13	those	those	PRON
eurjchem-2484	152	14	observed	observe	VERB
eurjchem-2484	152	15	in	in	ADP
eurjchem-2484	152	16	similar	similar	ADJ
eurjchem-2484	152	17	compounds	compound	NOUN
eurjchem-2484	152	18	[	[	X
eurjchem-2484	152	19	7	7	NUM
eurjchem-2484	152	20	,	,	PUNCT
eurjchem-2484	152	21	8	8	NUM
eurjchem-2484	152	22	]	]	PUNCT
eurjchem-2484	152	23	.	.	PUNCT
eurjchem-2484	153	1	in	in	ADP
eurjchem-2484	153	2	figure	figure	NOUN
eurjchem-2484	153	3	2a	2a	NUM
eurjchem-2484	153	4	-	-	SYM
eurjchem-2484	153	5	c	c	NOUN
eurjchem-2484	153	6	,	,	PUNCT
eurjchem-2484	153	7	it	it	PRON
eurjchem-2484	153	8	is	be	AUX
eurjchem-2484	153	9	observed	observe	VERB
eurjchem-2484	153	10	that	that	SCONJ
eurjchem-2484	153	11	the	the	DET
eurjchem-2484	153	12	h2po4	h2po4	NOUN
eurjchem-2484	153	13	–	–	PUNCT
eurjchem-2484	153	14	anion	anion	NOUN
eurjchem-2484	153	15	in	in	ADP
eurjchem-2484	153	16	the	the	DET
eurjchem-2484	153	17	inorganic	inorganic	ADJ
eurjchem-2484	153	18	layer	layer	NOUN
eurjchem-2484	153	19	forms	form	VERB
eurjchem-2484	153	20	a	a	DET
eurjchem-2484	153	21	long	long	ADJ
eurjchem-2484	153	22	chain	chain	NOUN
eurjchem-2484	153	23	by	by	ADP
eurjchem-2484	153	24	hydrogen	hydrogen	NOUN
eurjchem-2484	153	25	bond	bond	NOUN
eurjchem-2484	153	26	interaction	interaction	NOUN
eurjchem-2484	153	27	between	between	ADP
eurjchem-2484	153	28	the	the	DET
eurjchem-2484	153	29	p	p	NOUN
eurjchem-2484	153	30	-	-	PUNCT
eurjchem-2484	153	31	oh	oh	NOUN
eurjchem-2484	153	32	and	and	CCONJ
eurjchem-2484	153	33	-p	-p	PROPN
eurjchem-2484	153	34	=	=	NOUN
eurjchem-2484	153	35	o	o	NOUN
eurjchem-2484	153	36	groups	group	NOUN
eurjchem-2484	153	37	of	of	ADP
eurjchem-2484	153	38	adjacent	adjacent	ADJ
eurjchem-2484	153	39	h2po4	h2po4	NOUN
eurjchem-2484	153	40	–	–	PUNCT
eurjchem-2484	153	41	anions	anion	NOUN
eurjchem-2484	153	42	in	in	ADP
eurjchem-2484	153	43	the	the	DET
eurjchem-2484	153	44	same	same	ADJ
eurjchem-2484	153	45	layer	layer	NOUN
eurjchem-2484	153	46	(	(	PUNCT
eurjchem-2484	153	47	figure	figure	NOUN
eurjchem-2484	153	48	2b	2b	NOUN
eurjchem-2484	153	49	)	)	PUNCT
eurjchem-2484	153	50	.	.	PUNCT
eurjchem-2484	154	1	each	each	DET
eurjchem-2484	154	2	inorganic	inorganic	ADJ
eurjchem-2484	154	3	layer	layer	NOUN
eurjchem-2484	154	4	consists	consist	VERB
eurjchem-2484	154	5	of	of	ADP
eurjchem-2484	154	6	two	two	NUM
eurjchem-2484	154	7	such	such	ADJ
eurjchem-2484	154	8	chains	chain	NOUN
eurjchem-2484	154	9	of	of	ADP
eurjchem-2484	154	10	p	p	X
eurjchem-2484	154	11	–	–	PUNCT
eurjchem-2484	154	12	oh···o	oh···o	PROPN
eurjchem-2484	154	13	=	=	PROPN
eurjchem-2484	154	14	p	p	NOUN
eurjchem-2484	154	15	hydrogen	hydrogen	NOUN
eurjchem-2484	154	16	bonds	bond	NOUN
eurjchem-2484	154	17	.	.	PUNCT
eurjchem-2484	155	1	these	these	DET
eurjchem-2484	155	2	p	p	X
eurjchem-2484	155	3	–	–	PUNCT
eurjchem-2484	155	4	oh···o	oh···o	PROPN
eurjchem-2484	155	5	hydrogen	hydrogen	NOUN
eurjchem-2484	155	6	bonds	bond	NOUN
eurjchem-2484	155	7	help	help	VERB
eurjchem-2484	155	8	stabilize	stabilize	VERB
eurjchem-2484	155	9	the	the	DET
eurjchem-2484	155	10	crystal	crystal	NOUN
eurjchem-2484	155	11	structure	structure	NOUN
eurjchem-2484	155	12	.	.	PUNCT
eurjchem-2484	156	1	therefore	therefore	ADV
eurjchem-2484	156	2	,	,	PUNCT
eurjchem-2484	156	3	the	the	DET
eurjchem-2484	156	4	o	o	NOUN
eurjchem-2484	156	5	atoms	atom	NOUN
eurjchem-2484	156	6	of	of	ADP
eurjchem-2484	156	7	the	the	DET
eurjchem-2484	156	8	h2po4	h2po4	NOUN
eurjchem-2484	156	9	–	–	PUNCT
eurjchem-2484	156	10	moiety	moiety	NOUN
eurjchem-2484	156	11	act	act	NOUN
eurjchem-2484	156	12	as	as	ADP
eurjchem-2484	156	13	proton	proton	NOUN
eurjchem-2484	156	14	acceptors	acceptor	NOUN
eurjchem-2484	156	15	or	or	CCONJ
eurjchem-2484	156	16	as	as	ADP
eurjchem-2484	156	17	proton	proton	NOUN
eurjchem-2484	156	18	donors	donor	NOUN
eurjchem-2484	156	19	,	,	PUNCT
eurjchem-2484	156	20	resulting	result	VERB
eurjchem-2484	156	21	in	in	ADP
eurjchem-2484	156	22	a	a	DET
eurjchem-2484	156	23	threedimensional	threedimensional	ADJ
eurjchem-2484	156	24	network	network	NOUN
eurjchem-2484	156	25	.	.	PUNCT
eurjchem-2484	157	1	the	the	DET
eurjchem-2484	157	2	alternate	alternate	ADJ
eurjchem-2484	157	3	anions	anion	NOUN
eurjchem-2484	157	4	in	in	ADP
eurjchem-2484	157	5	these	these	DET
eurjchem-2484	157	6	chains	chain	NOUN
eurjchem-2484	157	7	have	have	VERB
eurjchem-2484	157	8	the	the	DET
eurjchem-2484	157	9	same	same	ADJ
eurjchem-2484	157	10	orientation	orientation	NOUN
eurjchem-2484	157	11	.	.	PUNCT
eurjchem-2484	158	1	each	each	DET
eurjchem-2484	158	2	h2po4	h2po4	NOUN
eurjchem-2484	158	3	–	–	PUNCT
eurjchem-2484	158	4	anion	anion	NOUN
eurjchem-2484	158	5	forms	form	VERB
eurjchem-2484	158	6	a	a	DET
eurjchem-2484	158	7	hydrogen	hydrogen	NOUN
eurjchem-2484	158	8	bond	bond	NOUN
eurjchem-2484	158	9	with	with	ADP
eurjchem-2484	158	10	two	two	NUM
eurjchem-2484	158	11	molecules	molecule	NOUN
eurjchem-2484	158	12	of	of	ADP
eurjchem-2484	158	13	water	water	NOUN
eurjchem-2484	158	14	,	,	PUNCT
eurjchem-2484	158	15	two	two	NUM
eurjchem-2484	158	16	molecules	molecule	NOUN
eurjchem-2484	158	17	of	of	ADP
eurjchem-2484	158	18	-4ca	-4ca	NOUN
eurjchem-2484	158	19	,	,	PUNCT
eurjchem-2484	158	20	and	and	CCONJ
eurjchem-2484	158	21	two	two	NUM
eurjchem-2484	158	22	molecules	molecule	NOUN
eurjchem-2484	158	23	of	of	ADP
eurjchem-2484	158	24	h2po4	h2po4	NOUN
eurjchem-2484	158	25	–	–	PUNCT
eurjchem-2484	158	26	(	(	PUNCT
eurjchem-2484	158	27	figure	figure	NOUN
eurjchem-2484	158	28	2c	2c	NUM
eurjchem-2484	158	29	)	)	PUNCT
eurjchem-2484	158	30	.	.	PUNCT
eurjchem-2484	159	1	the	the	DET
eurjchem-2484	159	2	phosphate	phosphate	ADJ
eurjchem-2484	159	3	layers	layer	NOUN
eurjchem-2484	159	4	are	be	AUX
eurjchem-2484	159	5	interconnected	interconnect	VERB
eurjchem-2484	159	6	by	by	ADP
eurjchem-2484	159	7	4	4	NUM
eurjchem-2484	159	8	-	-	PUNCT
eurjchem-2484	159	9	ca	ca	NOUN
eurjchem-2484	159	10	ions	ion	NOUN
eurjchem-2484	159	11	of	of	ADP
eurjchem-2484	159	12	the	the	DET
eurjchem-2484	159	13	organic	organic	ADJ
eurjchem-2484	159	14	layers	layer	NOUN
eurjchem-2484	159	15	through	through	ADP
eurjchem-2484	159	16	strong	strong	ADJ
eurjchem-2484	159	17	ionic	ionic	ADJ
eurjchem-2484	159	18	and	and	CCONJ
eurjchem-2484	159	19	hydrogen	hydrogen	NOUN
eurjchem-2484	159	20	bond	bond	NOUN
eurjchem-2484	159	21	interactions	interaction	NOUN
eurjchem-2484	159	22	with	with	ADP
eurjchem-2484	159	23	both	both	CCONJ
eurjchem-2484	159	24	the	the	DET
eurjchem-2484	159	25	-nh3	-nh3	NOUN
eurjchem-2484	159	26	+	+	NUM
eurjchem-2484	159	27	and	and	CCONJ
eurjchem-2484	159	28	-cooh	-cooh	ADJ
eurjchem-2484	159	29	groups	group	NOUN
eurjchem-2484	159	30	of	of	ADP
eurjchem-2484	159	31	two	two	NUM
eurjchem-2484	159	32	different	different	ADJ
eurjchem-2484	159	33	4	4	NUM
eurjchem-2484	159	34	-	-	PUNCT
eurjchem-2484	159	35	ca	ca	NOUN
eurjchem-2484	159	36	cations	cation	NOUN
eurjchem-2484	159	37	.	.	PUNCT
eurjchem-2484	160	1	lata	lata	PROPN
eurjchem-2484	160	2	panicker	panicker	PROPN
eurjchem-2484	160	3	/	/	SYM
eurjchem-2484	160	4	european	european	PROPN
eurjchem-2484	160	5	journal	journal	PROPN
eurjchem-2484	160	6	of	of	ADP
eurjchem-2484	160	7	chemistry	chemistry	NOUN
eurjchem-2484	160	8	15	15	NUM
eurjchem-2484	160	9	(	(	PUNCT
eurjchem-2484	160	10	1	1	NUM
eurjchem-2484	160	11	)	)	PUNCT
eurjchem-2484	160	12	(	(	PUNCT
eurjchem-2484	160	13	2024	2024	NUM
eurjchem-2484	160	14	)	)	PUNCT
eurjchem-2484	160	15	1	1	NUM
eurjchem-2484	160	16	-	-	SYM
eurjchem-2484	160	17	16	16	NUM
eurjchem-2484	160	18	5	5	NUM
eurjchem-2484	160	19	2024	2024	NUM
eurjchem-2484	160	20	–	–	PUNCT
eurjchem-2484	160	21	european	european	ADJ
eurjchem-2484	160	22	journal	journal	NOUN
eurjchem-2484	160	23	of	of	ADP
eurjchem-2484	160	24	chemistry	chemistry	NOUN
eurjchem-2484	160	25	–	–	PUNCT
eurjchem-2484	160	26	cc	cc	NOUN
eurjchem-2484	160	27	by	by	ADP
eurjchem-2484	160	28	nc	nc	PROPN
eurjchem-2484	160	29	–	–	PUNCT
eurjchem-2484	160	30	doi	doi	PROPN
eurjchem-2484	160	31	:	:	PUNCT
eurjchem-2484	160	32	10.5155	10.5155	NUM
eurjchem-2484	160	33	/	/	SYM
eurjchem-2484	160	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	160	35	-	-	SYM
eurjchem-2484	160	36	16.2484	16.2484	NUM
eurjchem-2484	160	37	(	(	PUNCT
eurjchem-2484	160	38	a	a	NOUN
eurjchem-2484	160	39	)	)	PUNCT
eurjchem-2484	160	40	(	(	PUNCT
eurjchem-2484	160	41	b	b	X
eurjchem-2484	160	42	)	)	PUNCT
eurjchem-2484	160	43	(	(	PUNCT
eurjchem-2484	160	44	e	e	NOUN
eurjchem-2484	160	45	)	)	PUNCT
eurjchem-2484	160	46	(	(	PUNCT
eurjchem-2484	160	47	c	c	X
eurjchem-2484	160	48	)	)	PUNCT
eurjchem-2484	160	49	(	(	PUNCT
eurjchem-2484	160	50	d	d	X
eurjchem-2484	160	51	)	)	PUNCT
eurjchem-2484	160	52	figure	figure	NOUN
eurjchem-2484	160	53	2	2	NUM
eurjchem-2484	160	54	.	.	PUNCT
eurjchem-2484	161	1	the	the	DET
eurjchem-2484	161	2	crystal	crystal	NOUN
eurjchem-2484	161	3	structure	structure	NOUN
eurjchem-2484	161	4	of	of	ADP
eurjchem-2484	161	5	4	4	NUM
eurjchem-2484	161	6	-	-	PUNCT
eurjchem-2484	161	7	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	161	8	,	,	PUNCT
eurjchem-2484	161	9	(	(	PUNCT
eurjchem-2484	161	10	a	a	X
eurjchem-2484	161	11	)	)	PUNCT
eurjchem-2484	161	12	view	view	NOUN
eurjchem-2484	161	13	along	along	ADP
eurjchem-2484	161	14	a	a	DET
eurjchem-2484	161	15	-	-	PUNCT
eurjchem-2484	161	16	axis	axis	NOUN
eurjchem-2484	161	17	with	with	ADP
eurjchem-2484	161	18	3	3	NUM
eurjchem-2484	161	19	-	-	SYM
eurjchem-2484	161	20	d	d	NOUN
eurjchem-2484	161	21	projection	projection	NOUN
eurjchem-2484	161	22	of	of	ADP
eurjchem-2484	161	23	the	the	DET
eurjchem-2484	161	24	layer	layer	NOUN
eurjchem-2484	161	25	parallel	parallel	NOUN
eurjchem-2484	161	26	to	to	ADP
eurjchem-2484	161	27	the	the	DET
eurjchem-2484	161	28	(	(	PUNCT
eurjchem-2484	161	29	100	100	NUM
eurjchem-2484	161	30	)	)	PUNCT
eurjchem-2484	161	31	plane	plane	NOUN
eurjchem-2484	161	32	(	(	PUNCT
eurjchem-2484	161	33	b	b	NOUN
eurjchem-2484	161	34	)	)	PUNCT
eurjchem-2484	161	35	arrangement	arrangement	NOUN
eurjchem-2484	161	36	of	of	ADP
eurjchem-2484	161	37	h2po4	h2po4	NOUN
eurjchem-2484	161	38	–	–	PUNCT
eurjchem-2484	161	39	anions	anion	NOUN
eurjchem-2484	161	40	in	in	ADP
eurjchem-2484	161	41	the	the	DET
eurjchem-2484	161	42	inorganic	inorganic	ADJ
eurjchem-2484	161	43	layer	layer	NOUN
eurjchem-2484	161	44	(	(	PUNCT
eurjchem-2484	161	45	c	c	NOUN
eurjchem-2484	161	46	)	)	PUNCT
eurjchem-2484	161	47	hydrogen	hydrogen	NOUN
eurjchem-2484	161	48	bonding	bonding	NOUN
eurjchem-2484	161	49	with	with	ADP
eurjchem-2484	161	50	h2po4	h2po4	NOUN
eurjchem-2484	161	51	–	–	PUNCT
eurjchem-2484	161	52	anion	anion	NOUN
eurjchem-2484	161	53	(	(	PUNCT
eurjchem-2484	161	54	d	d	NOUN
eurjchem-2484	161	55	)	)	PUNCT
eurjchem-2484	161	56	hydrogen	hydrogen	NOUN
eurjchem-2484	161	57	bonding	bonding	NOUN
eurjchem-2484	161	58	with	with	ADP
eurjchem-2484	161	59	4	4	NUM
eurjchem-2484	161	60	-	-	PUNCT
eurjchem-2484	161	61	ca	ca	NOUN
eurjchem-2484	161	62	and	and	CCONJ
eurjchem-2484	161	63	(	(	PUNCT
eurjchem-2484	161	64	e	e	NOUN
eurjchem-2484	161	65	)	)	PUNCT
eurjchem-2484	161	66	plane	plane	NOUN
eurjchem-2484	161	67	drawn	draw	VERB
eurjchem-2484	161	68	using	use	VERB
eurjchem-2484	161	69	the	the	DET
eurjchem-2484	161	70	cyclic	cyclic	ADJ
eurjchem-2484	161	71	acid	acid	NOUN
eurjchem-2484	161	72	dimer	dimer	NOUN
eurjchem-2484	161	73	atoms	atom	NOUN
eurjchem-2484	161	74	(	(	PUNCT
eurjchem-2484	161	75	formed	form	VERB
eurjchem-2484	161	76	between	between	ADP
eurjchem-2484	161	77	the	the	DET
eurjchem-2484	161	78	-cooh	-cooh	ADJ
eurjchem-2484	161	79	and	and	CCONJ
eurjchem-2484	161	80	-pooh	-pooh	ADJ
eurjchem-2484	161	81	groups	group	NOUN
eurjchem-2484	161	82	)	)	PUNCT
eurjchem-2484	161	83	.	.	PUNCT
eurjchem-2484	162	1	figure	figure	VERB
eurjchem-2484	162	2	3	3	NUM
eurjchem-2484	162	3	.	.	PUNCT
eurjchem-2484	163	1	the	the	DET
eurjchem-2484	163	2	crystal	crystal	NOUN
eurjchem-2484	163	3	structure	structure	NOUN
eurjchem-2484	163	4	of	of	ADP
eurjchem-2484	163	5	4	4	NUM
eurjchem-2484	163	6	-	-	PUNCT
eurjchem-2484	163	7	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	163	8	dihydrogen	dihydrogen	NOUN
eurjchem-2484	163	9	phosphate	phosphate	NOUN
eurjchem-2484	163	10	(	(	PUNCT
eurjchem-2484	163	11	4	4	NUM
eurjchem-2484	163	12	-	-	PUNCT
eurjchem-2484	163	13	cah2po4	cah2po4	NOUN
eurjchem-2484	163	14	)	)	PUNCT
eurjchem-2484	163	15	(	(	PUNCT
eurjchem-2484	163	16	reference	reference	NOUN
eurjchem-2484	163	17	[	[	X
eurjchem-2484	163	18	8	8	NUM
eurjchem-2484	163	19	]	]	X
eurjchem-2484	163	20	ccdc	ccdc	NOUN
eurjchem-2484	163	21	deposition	deposition	NOUN
eurjchem-2484	163	22	number	number	NOUN
eurjchem-2484	163	23	647348	647348	NUM
eurjchem-2484	163	24	)	)	PUNCT
eurjchem-2484	163	25	viewed	view	VERB
eurjchem-2484	163	26	along	along	ADP
eurjchem-2484	163	27	a	a	DET
eurjchem-2484	163	28	-	-	PUNCT
eurjchem-2484	163	29	axis	axis	NOUN
eurjchem-2484	163	30	showing	show	VERB
eurjchem-2484	163	31	3	3	NUM
eurjchem-2484	163	32	-	-	SYM
eurjchem-2484	163	33	d	d	NOUN
eurjchem-2484	163	34	projection	projection	NOUN
eurjchem-2484	163	35	of	of	ADP
eurjchem-2484	163	36	the	the	DET
eurjchem-2484	163	37	layer	layer	NOUN
eurjchem-2484	163	38	parallel	parallel	NOUN
eurjchem-2484	163	39	to	to	ADP
eurjchem-2484	163	40	the	the	DET
eurjchem-2484	163	41	(	(	PUNCT
eurjchem-2484	163	42	100	100	NUM
eurjchem-2484	163	43	)	)	PUNCT
eurjchem-2484	163	44	plane	plane	NOUN
eurjchem-2484	163	45	.	.	PUNCT
eurjchem-2484	164	1	the	the	DET
eurjchem-2484	164	2	geometry	geometry	NOUN
eurjchem-2484	164	3	of	of	ADP
eurjchem-2484	164	4	the	the	DET
eurjchem-2484	164	5	organic	organic	ADJ
eurjchem-2484	164	6	cations	cation	NOUN
eurjchem-2484	164	7	in	in	ADP
eurjchem-2484	164	8	4	4	NUM
eurjchem-2484	164	9	-	-	PUNCT
eurjchem-2484	164	10	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	164	11	crystals	crystal	NOUN
eurjchem-2484	164	12	is	be	AUX
eurjchem-2484	164	13	in	in	ADP
eurjchem-2484	164	14	good	good	ADJ
eurjchem-2484	164	15	agreement	agreement	NOUN
eurjchem-2484	164	16	with	with	ADP
eurjchem-2484	164	17	the	the	DET
eurjchem-2484	164	18	structures	structure	NOUN
eurjchem-2484	164	19	reported	report	VERB
eurjchem-2484	164	20	for	for	ADP
eurjchem-2484	164	21	the	the	DET
eurjchem-2484	164	22	4	4	NUM
eurjchem-2484	164	23	-	-	PUNCT
eurjchem-2484	164	24	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	164	25	cations	cation	NOUN
eurjchem-2484	164	26	[	[	X
eurjchem-2484	164	27	26,27	26,27	NUM
eurjchem-2484	164	28	]	]	PUNCT
eurjchem-2484	164	29	.	.	PUNCT
eurjchem-2484	165	1	in	in	ADP
eurjchem-2484	165	2	4	4	NUM
eurjchem-2484	165	3	-	-	PUNCT
eurjchem-2484	165	4	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	165	5	crystal	crystal	NOUN
eurjchem-2484	165	6	structure	structure	NOUN
eurjchem-2484	165	7	within	within	ADP
eurjchem-2484	165	8	the	the	DET
eurjchem-2484	165	9	horizontal	horizontal	ADJ
eurjchem-2484	165	10	organic	organic	ADJ
eurjchem-2484	165	11	layer	layer	NOUN
eurjchem-2484	165	12	,	,	PUNCT
eurjchem-2484	165	13	the	the	DET
eurjchem-2484	165	14	adjacent	adjacent	ADJ
eurjchem-2484	165	15	4	4	NUM
eurjchem-2484	165	16	-	-	PUNCT
eurjchem-2484	165	17	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	165	18	ions	ion	NOUN
eurjchem-2484	165	19	are	be	AUX
eurjchem-2484	165	20	arranged	arrange	VERB
eurjchem-2484	165	21	in	in	ADP
eurjchem-2484	165	22	head	head	NOUN
eurjchem-2484	165	23	-	-	PUNCT
eurjchem-2484	165	24	to	to	ADP
eurjchem-2484	165	25	-	-	PUNCT
eurjchem-2484	165	26	tail	tail	NOUN
eurjchem-2484	165	27	orientation	orientation	NOUN
eurjchem-2484	165	28	(	(	PUNCT
eurjchem-2484	165	29	figure	figure	NOUN
eurjchem-2484	165	30	2a	2a	NUM
eurjchem-2484	165	31	)	)	PUNCT
eurjchem-2484	165	32	.	.	PUNCT
eurjchem-2484	166	1	the	the	DET
eurjchem-2484	166	2	-cooh	-cooh	PROPN
eurjchem-2484	166	3	(	(	PUNCT
eurjchem-2484	166	4	-c	-c	PROPN
eurjchem-2484	166	5	=	=	NOUN
eurjchem-2484	166	6	o	o	X
eurjchem-2484	166	7	and	and	CCONJ
eurjchem-2484	166	8	-c	-c	PROPN
eurjchem-2484	166	9	-	-	PUNCT
eurjchem-2484	166	10	oh	oh	INTJ
eurjchem-2484	166	11	)	)	PUNCT
eurjchem-2484	166	12	group	group	NOUN
eurjchem-2484	166	13	of	of	ADP
eurjchem-2484	166	14	the	the	DET
eurjchem-2484	166	15	4	4	NUM
eurjchem-2484	166	16	-	-	PUNCT
eurjchem-2484	166	17	ca	ca	NOUN
eurjchem-2484	166	18	cation	cation	NOUN
eurjchem-2484	166	19	forms	form	VERB
eurjchem-2484	166	20	a	a	DET
eurjchem-2484	166	21	hydrogen	hydrogen	NOUN
eurjchem-2484	166	22	bond	bond	NOUN
eurjchem-2484	166	23	with	with	ADP
eurjchem-2484	166	24	the	the	DET
eurjchem-2484	166	25	-p	-p	PROPN
eurjchem-2484	166	26	=	=	PROPN
eurjchem-2484	166	27	o	o	NOUN
eurjchem-2484	166	28	and	and	CCONJ
eurjchem-2484	166	29	-poh	-poh	PUNCT
eurjchem-2484	166	30	groups	group	NOUN
eurjchem-2484	166	31	of	of	ADP
eurjchem-2484	166	32	the	the	DET
eurjchem-2484	166	33	same	same	ADJ
eurjchem-2484	166	34	anion	anion	NOUN
eurjchem-2484	166	35	(	(	PUNCT
eurjchem-2484	166	36	figure	figure	NOUN
eurjchem-2484	166	37	2d	2d	NOUN
eurjchem-2484	166	38	)	)	PUNCT
eurjchem-2484	166	39	.	.	PUNCT
eurjchem-2484	167	1	this	this	PRON
eurjchem-2484	167	2	leads	lead	VERB
eurjchem-2484	167	3	to	to	ADP
eurjchem-2484	167	4	the	the	DET
eurjchem-2484	167	5	formation	formation	NOUN
eurjchem-2484	167	6	of	of	ADP
eurjchem-2484	167	7	a	a	DET
eurjchem-2484	167	8	cyclic	cyclic	ADJ
eurjchem-2484	167	9	arrangement	arrangement	NOUN
eurjchem-2484	167	10	and	and	CCONJ
eurjchem-2484	167	11	all	all	DET
eurjchem-2484	167	12	atoms	atom	NOUN
eurjchem-2484	167	13	involved	involve	VERB
eurjchem-2484	167	14	in	in	ADP
eurjchem-2484	167	15	hydrogen	hydrogen	NOUN
eurjchem-2484	167	16	bonding	bonding	NOUN
eurjchem-2484	167	17	lie	lie	NOUN
eurjchem-2484	167	18	in	in	ADP
eurjchem-2484	167	19	the	the	DET
eurjchem-2484	167	20	same	same	ADJ
eurjchem-2484	167	21	plane	plane	NOUN
eurjchem-2484	167	22	(	(	PUNCT
eurjchem-2484	167	23	figure	figure	NOUN
eurjchem-2484	167	24	2e	2e	NUM
eurjchem-2484	167	25	)	)	PUNCT
eurjchem-2484	167	26	.	.	PUNCT
eurjchem-2484	168	1	the	the	DET
eurjchem-2484	168	2	interesting	interesting	ADJ
eurjchem-2484	168	3	observation	observation	NOUN
eurjchem-2484	168	4	is	be	AUX
eurjchem-2484	168	5	that	that	SCONJ
eurjchem-2484	168	6	there	there	PRON
eurjchem-2484	168	7	is	be	VERB
eurjchem-2484	168	8	no	no	DET
eurjchem-2484	168	9	hydrogen	hydrogen	NOUN
eurjchem-2484	168	10	bond	bond	NOUN
eurjchem-2484	168	11	interaction	interaction	NOUN
eurjchem-2484	168	12	between	between	ADP
eurjchem-2484	168	13	neighboring	neighbor	VERB
eurjchem-2484	168	14	4	4	NUM
eurjchem-2484	168	15	-	-	PUNCT
eurjchem-2484	168	16	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	168	17	cations	cation	NOUN
eurjchem-2484	168	18	.	.	PUNCT
eurjchem-2484	169	1	the	the	DET
eurjchem-2484	169	2	-nh3	-nh3	PROPN
eurjchem-2484	169	3	group	group	NOUN
eurjchem-2484	169	4	forms	form	VERB
eurjchem-2484	169	5	hydrogen	hydrogen	NOUN
eurjchem-2484	169	6	bonds	bond	NOUN
eurjchem-2484	169	7	with	with	ADP
eurjchem-2484	169	8	two	two	NUM
eurjchem-2484	169	9	water	water	NOUN
eurjchem-2484	169	10	molecules	molecule	NOUN
eurjchem-2484	169	11	and	and	CCONJ
eurjchem-2484	169	12	one	one	NUM
eurjchem-2484	169	13	h2po4	h2po4	NOUN
eurjchem-2484	169	14	–	–	PUNCT
eurjchem-2484	169	15	anion	anion	NOUN
eurjchem-2484	169	16	,	,	PUNCT
eurjchem-2484	169	17	respectively	respectively	ADV
eurjchem-2484	169	18	(	(	PUNCT
eurjchem-2484	169	19	figure	figure	NOUN
eurjchem-2484	169	20	2d	2d	NUM
eurjchem-2484	169	21	)	)	PUNCT
eurjchem-2484	169	22	.	.	PUNCT
eurjchem-2484	170	1	the	the	DET
eurjchem-2484	170	2	4	4	NUM
eurjchem-2484	170	3	-	-	PUNCT
eurjchem-2484	170	4	ca	ca	NOUN
eurjchem-2484	170	5	-	-	PUNCT
eurjchem-2484	170	6	cations	cation	NOUN
eurjchem-2484	170	7	are	be	AUX
eurjchem-2484	170	8	held	hold	VERB
eurjchem-2484	170	9	in	in	ADP
eurjchem-2484	170	10	the	the	DET
eurjchem-2484	170	11	organic	organic	ADJ
eurjchem-2484	170	12	layer	layer	NOUN
eurjchem-2484	170	13	by	by	ADP
eurjchem-2484	170	14	strong	strong	ADJ
eurjchem-2484	170	15	h	h	NOUN
eurjchem-2484	170	16	-	-	PUNCT
eurjchem-2484	170	17	bonding	bond	VERB
eurjchem-2484	170	18	and	and	CCONJ
eurjchem-2484	170	19	ionic	ionic	ADJ
eurjchem-2484	170	20	interactions	interaction	NOUN
eurjchem-2484	170	21	with	with	ADP
eurjchem-2484	170	22	anions	anion	NOUN
eurjchem-2484	170	23	and	and	CCONJ
eurjchem-2484	170	24	water	water	NOUN
eurjchem-2484	170	25	on	on	ADP
eurjchem-2484	170	26	both	both	DET
eurjchem-2484	170	27	sides	side	NOUN
eurjchem-2484	170	28	.	.	PUNCT
eurjchem-2484	171	1	such	such	DET
eurjchem-2484	171	2	an	an	DET
eurjchem-2484	171	3	extensive	extensive	ADJ
eurjchem-2484	171	4	three	three	NUM
eurjchem-2484	171	5	-	-	PUNCT
eurjchem-2484	171	6	dimensional	dimensional	ADJ
eurjchem-2484	171	7	hydrogen	hydrogen	NOUN
eurjchem-2484	171	8	-	-	PUNCT
eurjchem-2484	171	9	bonding	bonding	NOUN
eurjchem-2484	171	10	framework	framework	NOUN
eurjchem-2484	171	11	stabilizes	stabilize	VERB
eurjchem-2484	171	12	the	the	DET
eurjchem-2484	171	13	crystal	crystal	NOUN
eurjchem-2484	171	14	structure	structure	NOUN
eurjchem-2484	171	15	.	.	PUNCT
eurjchem-2484	172	1	4	4	NUM
eurjchem-2484	172	2	-	-	PUNCT
eurjchem-2484	172	3	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	172	4	dihydrogen	dihydrogen	NOUN
eurjchem-2484	172	5	phosphate	phosphate	NOUN
eurjchem-2484	172	6	monohydrate	monohydrate	NOUN
eurjchem-2484	172	7	(	(	PUNCT
eurjchem-2484	172	8	4	4	NUM
eurjchem-2484	172	9	-	-	PUNCT
eurjchem-2484	172	10	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	172	11	)	)	PUNCT
eurjchem-2484	172	12	and	and	CCONJ
eurjchem-2484	172	13	4	4	NUM
eurjchem-2484	172	14	-	-	PUNCT
eurjchem-2484	172	15	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	172	16	dihydrogen	dihydrogen	NOUN
eurjchem-2484	172	17	phosphate	phosphate	NOUN
eurjchem-2484	172	18	(	(	PUNCT
eurjchem-2484	172	19	4	4	NUM
eurjchem-2484	172	20	-	-	PUNCT
eurjchem-2484	172	21	cah2po4	cah2po4	NOUN
eurjchem-2484	172	22	)	)	PUNCT
eurjchem-2484	172	23	(	(	PUNCT
eurjchem-2484	172	24	figure	figure	VERB
eurjchem-2484	172	25	3	3	NUM
eurjchem-2484	172	26	)	)	PUNCT
eurjchem-2484	173	1	[	[	X
eurjchem-2484	173	2	8	8	X
eurjchem-2484	173	3	]	]	X
eurjchem-2484	173	4	both	both	PRON
eurjchem-2484	173	5	are	be	AUX
eurjchem-2484	173	6	organo	organo	ADJ
eurjchem-2484	173	7	-	-	ADJ
eurjchem-2484	173	8	phosphate	phosphate	ADJ
eurjchem-2484	173	9	adducts	adduct	NOUN
eurjchem-2484	173	10	of	of	ADP
eurjchem-2484	173	11	4	4	NUM
eurjchem-2484	173	12	-	-	PUNCT
eurjchem-2484	173	13	amino	amino	ADJ
eurjchem-2484	173	14	benzoic	benzoic	NOUN
eurjchem-2484	173	15	acid	acid	NOUN
eurjchem-2484	173	16	.	.	PUNCT
eurjchem-2484	174	1	however	however	ADV
eurjchem-2484	174	2	,	,	PUNCT
eurjchem-2484	174	3	the	the	DET
eurjchem-2484	174	4	crystal	crystal	NOUN
eurjchem-2484	174	5	structure	structure	NOUN
eurjchem-2484	174	6	of	of	ADP
eurjchem-2484	174	7	4	4	NUM
eurjchem-2484	174	8	-	-	PUNCT
eurjchem-2484	174	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	174	10	is	be	AUX
eurjchem-2484	174	11	different	different	ADJ
eurjchem-2484	174	12	from	from	ADP
eurjchem-2484	174	13	that	that	PRON
eurjchem-2484	174	14	of	of	ADP
eurjchem-2484	174	15	4	4	NUM
eurjchem-2484	174	16	-	-	PUNCT
eurjchem-2484	174	17	cah2po4	cah2po4	NOUN
eurjchem-2484	174	18	.	.	PUNCT
eurjchem-2484	175	1	in	in	ADP
eurjchem-2484	175	2	4cah2po4	4cah2po4	NUM
eurjchem-2484	175	3	,	,	PUNCT
eurjchem-2484	175	4	the	the	DET
eurjchem-2484	175	5	inorganic	inorganic	ADJ
eurjchem-2484	175	6	layer	layer	NOUN
eurjchem-2484	175	7	has	have	VERB
eurjchem-2484	175	8	one	one	NUM
eurjchem-2484	175	9	chain	chain	NOUN
eurjchem-2484	175	10	of	of	ADP
eurjchem-2484	175	11	p	p	PROPN
eurjchem-2484	175	12	-	-	PUNCT
eurjchem-2484	175	13	oh···o	oh···o	PROPN
eurjchem-2484	175	14	interlink	interlink	NOUN
eurjchem-2484	175	15	,	,	PUNCT
eurjchem-2484	175	16	while	while	SCONJ
eurjchem-2484	175	17	in	in	ADP
eurjchem-2484	175	18	4	4	NUM
eurjchem-2484	175	19	-	-	PUNCT
eurjchem-2484	175	20	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	175	21	there	there	PRON
eurjchem-2484	175	22	are	be	VERB
eurjchem-2484	175	23	two	two	NUM
eurjchem-2484	175	24	such	such	ADJ
eurjchem-2484	175	25	chains	chain	NOUN
eurjchem-2484	175	26	within	within	ADP
eurjchem-2484	175	27	the	the	DET
eurjchem-2484	175	28	same	same	ADJ
eurjchem-2484	175	29	layer	layer	NOUN
eurjchem-2484	175	30	.	.	PUNCT
eurjchem-2484	176	1	in	in	ADP
eurjchem-2484	176	2	the	the	DET
eurjchem-2484	176	3	4	4	NUM
eurjchem-2484	176	4	-	-	PUNCT
eurjchem-2484	176	5	cah2po4	cah2po4	NOUN
eurjchem-2484	176	6	crystals	crystal	NOUN
eurjchem-2484	176	7	,	,	PUNCT
eurjchem-2484	176	8	four	four	NUM
eurjchem-2484	176	9	h2po4	h2po4	NOUN
eurjchem-2484	176	10	–	–	PUNCT
eurjchem-2484	176	11	ions	ion	NOUN
eurjchem-2484	176	12	interact	interact	VERB
eurjchem-2484	176	13	via	via	ADP
eurjchem-2484	176	14	a	a	DET
eurjchem-2484	176	15	h	h	NOUN
eurjchem-2484	176	16	-	-	PUNCT
eurjchem-2484	176	17	bond	bond	NOUN
eurjchem-2484	176	18	with	with	ADP
eurjchem-2484	176	19	the	the	DET
eurjchem-2484	176	20	nh3	nh3	PROPN
eurjchem-2484	176	21	+	+	PROPN
eurjchem-2484	176	22	group	group	NOUN
eurjchem-2484	176	23	of	of	ADP
eurjchem-2484	176	24	three	three	NUM
eurjchem-2484	176	25	different	different	ADJ
eurjchem-2484	176	26	4	4	NUM
eurjchem-2484	176	27	-	-	PUNCT
eurjchem-2484	176	28	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	176	29	cations	cation	NOUN
eurjchem-2484	176	30	,	,	PUNCT
eurjchem-2484	176	31	while	while	SCONJ
eurjchem-2484	176	32	in	in	ADP
eurjchem-2484	176	33	4	4	NUM
eurjchem-2484	176	34	-	-	PUNCT
eurjchem-2484	176	35	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	176	36	crystal	crystal	NOUN
eurjchem-2484	176	37	,	,	PUNCT
eurjchem-2484	176	38	the	the	DET
eurjchem-2484	176	39	-nh3	-nh3	NOUN
eurjchem-2484	176	40	group	group	NOUN
eurjchem-2484	176	41	forms	form	VERB
eurjchem-2484	176	42	hydrogen	hydrogen	NOUN
eurjchem-2484	176	43	bonds	bond	NOUN
eurjchem-2484	176	44	with	with	ADP
eurjchem-2484	176	45	two	two	NUM
eurjchem-2484	176	46	molecules	molecule	NOUN
eurjchem-2484	176	47	of	of	ADP
eurjchem-2484	176	48	water	water	NOUN
eurjchem-2484	176	49	and	and	CCONJ
eurjchem-2484	176	50	one	one	NUM
eurjchem-2484	176	51	o	o	NOUN
eurjchem-2484	176	52	atom	atom	NOUN
eurjchem-2484	176	53	of	of	ADP
eurjchem-2484	176	54	the	the	DET
eurjchem-2484	176	55	h2po4	h2po4	NOUN
eurjchem-2484	176	56	–	–	PUNCT
eurjchem-2484	176	57	anion	anion	NOUN
eurjchem-2484	176	58	.	.	PUNCT
eurjchem-2484	177	1	in	in	ADP
eurjchem-2484	177	2	both	both	DET
eurjchem-2484	177	3	crystal	crystal	NOUN
eurjchem-2484	177	4	structures	structure	NOUN
eurjchem-2484	177	5	,	,	PUNCT
eurjchem-2484	177	6	the	the	DET
eurjchem-2484	177	7	-cooh	-cooh	ADJ
eurjchem-2484	177	8	group	group	NOUN
eurjchem-2484	177	9	of	of	ADP
eurjchem-2484	177	10	the	the	DET
eurjchem-2484	177	11	4	4	NUM
eurjchem-2484	177	12	-	-	PUNCT
eurjchem-2484	177	13	ca	ca	NOUN
eurjchem-2484	177	14	cation	cation	NOUN
eurjchem-2484	177	15	forms	form	VERB
eurjchem-2484	177	16	a	a	DET
eurjchem-2484	177	17	hydrogen	hydrogen	NOUN
eurjchem-2484	177	18	bond	bond	NOUN
eurjchem-2484	177	19	with	with	ADP
eurjchem-2484	177	20	the	the	DET
eurjchem-2484	177	21	-p	-p	PROPN
eurjchem-2484	177	22	=	=	NOUN
eurjchem-2484	177	23	o	o	X
eurjchem-2484	177	24	and	and	CCONJ
eurjchem-2484	177	25	-p	-p	PROPN
eurjchem-2484	177	26	-	-	PUNCT
eurjchem-2484	177	27	oh	oh	INTJ
eurjchem-2484	177	28	groups	group	NOUN
eurjchem-2484	177	29	of	of	ADP
eurjchem-2484	177	30	the	the	DET
eurjchem-2484	177	31	same	same	ADJ
eurjchem-2484	177	32	anion	anion	NOUN
eurjchem-2484	177	33	.	.	PUNCT
eurjchem-2484	178	1	this	this	DET
eurjchem-2484	178	2	interaction	interaction	NOUN
eurjchem-2484	178	3	leads	lead	VERB
eurjchem-2484	178	4	to	to	ADP
eurjchem-2484	178	5	the	the	DET
eurjchem-2484	178	6	formation	formation	NOUN
eurjchem-2484	178	7	of	of	ADP
eurjchem-2484	178	8	a	a	DET
eurjchem-2484	178	9	cyclic	cyclic	ADJ
eurjchem-2484	178	10	arrangement	arrangement	NOUN
eurjchem-2484	178	11	of	of	ADP
eurjchem-2484	178	12	all	all	DET
eurjchem-2484	178	13	atoms	atom	NOUN
eurjchem-2484	178	14	involved	involve	VERB
eurjchem-2484	178	15	in	in	ADP
eurjchem-2484	178	16	hydrogen	hydrogen	NOUN
eurjchem-2484	178	17	bonding	bonding	NOUN
eurjchem-2484	178	18	.	.	PUNCT
eurjchem-2484	179	1	however	however	ADV
eurjchem-2484	179	2	,	,	PUNCT
eurjchem-2484	179	3	in	in	ADP
eurjchem-2484	179	4	the	the	DET
eurjchem-2484	179	5	case	case	NOUN
eurjchem-2484	179	6	of	of	ADP
eurjchem-2484	179	7	4	4	NUM
eurjchem-2484	179	8	-	-	PUNCT
eurjchem-2484	179	9	cah2po4	cah2po4	NOUN
eurjchem-2484	179	10	,	,	PUNCT
eurjchem-2484	179	11	these	these	DET
eurjchem-2484	179	12	atoms	atom	NOUN
eurjchem-2484	179	13	do	do	AUX
eurjchem-2484	179	14	not	not	PART
eurjchem-2484	179	15	lie	lie	VERB
eurjchem-2484	179	16	in	in	ADP
eurjchem-2484	179	17	the	the	DET
eurjchem-2484	179	18	same	same	ADJ
eurjchem-2484	179	19	plane	plane	NOUN
eurjchem-2484	179	20	.	.	PUNCT
eurjchem-2484	180	1	thus	thus	ADV
eurjchem-2484	180	2	,	,	PUNCT
eurjchem-2484	180	3	the	the	DET
eurjchem-2484	180	4	formation	formation	NOUN
eurjchem-2484	180	5	of	of	ADP
eurjchem-2484	180	6	different	different	ADJ
eurjchem-2484	180	7	crystal	crystal	NOUN
eurjchem-2484	180	8	structures	structure	NOUN
eurjchem-2484	180	9	from	from	ADP
eurjchem-2484	180	10	the	the	DET
eurjchem-2484	180	11	same	same	ADJ
eurjchem-2484	180	12	reaction	reaction	NOUN
eurjchem-2484	180	13	mixture	mixture	NOUN
eurjchem-2484	180	14	is	be	AUX
eurjchem-2484	180	15	an	an	DET
eurjchem-2484	180	16	important	important	ADJ
eurjchem-2484	180	17	property	property	NOUN
eurjchem-2484	180	18	and	and	CCONJ
eurjchem-2484	180	19	characteristic	characteristic	NOUN
eurjchem-2484	180	20	of	of	ADP
eurjchem-2484	180	21	organic	organic	ADJ
eurjchem-2484	180	22	molecules	molecule	NOUN
eurjchem-2484	180	23	.	.	PUNCT
eurjchem-2484	181	1	3.2	3.2	NUM
eurjchem-2484	181	2	.	.	PUNCT
eurjchem-2484	181	3	differential	differential	PROPN
eurjchem-2484	181	4	scanning	scanning	NOUN
eurjchem-2484	181	5	calorimetry	calorimetry	NOUN
eurjchem-2484	181	6	the	the	DET
eurjchem-2484	181	7	dsc	dsc	NOUN
eurjchem-2484	181	8	heating	heating	NOUN
eurjchem-2484	181	9	thermograms	thermogram	NOUN
eurjchem-2484	181	10	of	of	ADP
eurjchem-2484	181	11	4	4	NUM
eurjchem-2484	181	12	-	-	PUNCT
eurjchem-2484	181	13	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	181	14	and	and	CCONJ
eurjchem-2484	181	15	4aba	4aba	NOUN
eurjchem-2484	181	16	were	be	AUX
eurjchem-2484	181	17	obtained	obtain	VERB
eurjchem-2484	181	18	in	in	ADP
eurjchem-2484	181	19	the	the	DET
eurjchem-2484	181	20	temperature	temperature	NOUN
eurjchem-2484	181	21	range	range	NOUN
eurjchem-2484	181	22	of	of	ADP
eurjchem-2484	181	23	173	173	NUM
eurjchem-2484	181	24	to	to	PART
eurjchem-2484	181	25	293	293	NUM
eurjchem-2484	181	26	k	k	NOUN
eurjchem-2484	181	27	and	and	CCONJ
eurjchem-2484	181	28	293	293	NUM
eurjchem-2484	181	29	to	to	ADP
eurjchem-2484	181	30	480	480	NUM
eurjchem-2484	181	31	k	k	NOUN
eurjchem-2484	181	32	,	,	PUNCT
eurjchem-2484	181	33	respectively	respectively	ADV
eurjchem-2484	181	34	.	.	PUNCT
eurjchem-2484	182	1	the	the	DET
eurjchem-2484	182	2	thermal	thermal	ADJ
eurjchem-2484	182	3	parameters	parameter	NOUN
eurjchem-2484	182	4	,	,	PUNCT
eurjchem-2484	182	5	transition	transition	NOUN
eurjchem-2484	182	6	temperatures	temperature	NOUN
eurjchem-2484	182	7	,	,	PUNCT
eurjchem-2484	182	8	and	and	CCONJ
eurjchem-2484	182	9	transition	transition	NOUN
eurjchem-2484	182	10	enthalpies	enthalpy	NOUN
eurjchem-2484	182	11	obtained	obtain	VERB
eurjchem-2484	182	12	from	from	ADP
eurjchem-2484	182	13	the	the	DET
eurjchem-2484	182	14	dsc	dsc	NOUN
eurjchem-2484	182	15	curves	curve	NOUN
eurjchem-2484	182	16	are	be	AUX
eurjchem-2484	182	17	given	give	VERB
eurjchem-2484	182	18	in	in	ADP
eurjchem-2484	182	19	table	table	NOUN
eurjchem-2484	182	20	4	4	NUM
eurjchem-2484	182	21	.	.	PUNCT
eurjchem-2484	183	1	no	no	DET
eurjchem-2484	183	2	transition	transition	NOUN
eurjchem-2484	183	3	is	be	AUX
eurjchem-2484	183	4	seen	see	VERB
eurjchem-2484	183	5	in	in	ADP
eurjchem-2484	183	6	the	the	DET
eurjchem-2484	183	7	low	low	ADJ
eurjchem-2484	183	8	temperature	temperature	NOUN
eurjchem-2484	183	9	range	range	NOUN
eurjchem-2484	183	10	(	(	PUNCT
eurjchem-2484	183	11	173	173	NUM
eurjchem-2484	183	12	to	to	PART
eurjchem-2484	183	13	293	293	NUM
eurjchem-2484	183	14	k	k	NOUN
eurjchem-2484	183	15	)	)	PUNCT
eurjchem-2484	183	16	.	.	PUNCT
eurjchem-2484	184	1	4	4	NUM
eurjchem-2484	184	2	-	-	PUNCT
eurjchem-2484	184	3	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	184	4	when	when	SCONJ
eurjchem-2484	184	5	heated	heated	ADJ
eurjchem-2484	184	6	gave	give	VERB
eurjchem-2484	184	7	endothermic	endothermic	NOUN
eurjchem-2484	184	8	transitions	transition	NOUN
eurjchem-2484	184	9	at	at	ADP
eurjchem-2484	184	10	323.35	323.35	NUM
eurjchem-2484	184	11	,	,	PUNCT
eurjchem-2484	184	12	374.16	374.16	NUM
eurjchem-2484	184	13	and	and	CCONJ
eurjchem-2484	184	14	459.42	459.42	NUM
eurjchem-2484	184	15	k	k	NOUN
eurjchem-2484	184	16	,	,	PUNCT
eurjchem-2484	184	17	respectively	respectively	ADV
eurjchem-2484	184	18	,	,	PUNCT
eurjchem-2484	184	19	and	and	CCONJ
eurjchem-2484	184	20	the	the	DET
eurjchem-2484	184	21	corresponding	correspond	VERB
eurjchem-2484	184	22	enthalpy	enthalpy	NOUN
eurjchem-2484	184	23	associated	associate	VERB
eurjchem-2484	184	24	with	with	ADP
eurjchem-2484	184	25	it	it	PRON
eurjchem-2484	184	26	was	be	AUX
eurjchem-2484	184	27	-10.80	-10.80	PROPN
eurjchem-2484	184	28	,	,	PUNCT
eurjchem-2484	184	29	-12.5	-12.5	PUNCT
eurjchem-2484	184	30	and	and	CCONJ
eurjchem-2484	184	31	-276.82	-276.82	PROPN
eurjchem-2484	184	32	j	j	PROPN
eurjchem-2484	184	33	/	/	SYM
eurjchem-2484	184	34	g	g	PROPN
eurjchem-2484	184	35	,	,	PUNCT
eurjchem-2484	184	36	respecttively	respecttively	ADV
eurjchem-2484	184	37	(	(	PUNCT
eurjchem-2484	184	38	table	table	NOUN
eurjchem-2484	184	39	4	4	NUM
eurjchem-2484	184	40	,	,	PUNCT
eurjchem-2484	184	41	figure	figure	VERB
eurjchem-2484	184	42	4	4	NUM
eurjchem-2484	184	43	)	)	PUNCT
eurjchem-2484	184	44	.	.	PUNCT
eurjchem-2484	185	1	thus	thus	ADV
eurjchem-2484	185	2	,	,	PUNCT
eurjchem-2484	185	3	the	the	DET
eurjchem-2484	185	4	heating	heating	NOUN
eurjchem-2484	185	5	thermogram	thermogram	NOUN
eurjchem-2484	185	6	of	of	ADP
eurjchem-2484	185	7	4cah2po4·h2o	4cah2po4·h2o	NUM
eurjchem-2484	185	8	obtained	obtain	VERB
eurjchem-2484	185	9	was	be	AUX
eurjchem-2484	185	10	different	different	ADJ
eurjchem-2484	185	11	from	from	ADP
eurjchem-2484	185	12	that	that	PRON
eurjchem-2484	185	13	of	of	ADP
eurjchem-2484	185	14	4	4	NUM
eurjchem-2484	185	15	-	-	PUNCT
eurjchem-2484	185	16	aba	aba	NOUN
eurjchem-2484	185	17	,	,	PUNCT
eurjchem-2484	185	18	indicating	indicate	VERB
eurjchem-2484	185	19	formation	formation	NOUN
eurjchem-2484	185	20	of	of	ADP
eurjchem-2484	185	21	a	a	DET
eurjchem-2484	185	22	new	new	ADJ
eurjchem-2484	185	23	compound	compound	NOUN
eurjchem-2484	185	24	(	(	PUNCT
eurjchem-2484	185	25	figure	figure	NOUN
eurjchem-2484	185	26	4	4	NUM
eurjchem-2484	185	27	)	)	PUNCT
eurjchem-2484	185	28	.	.	PUNCT
eurjchem-2484	186	1	the	the	DET
eurjchem-2484	186	2	transitions	transition	NOUN
eurjchem-2484	186	3	seen	see	VERB
eurjchem-2484	186	4	at	at	ADP
eurjchem-2484	186	5	323.35	323.35	NUM
eurjchem-2484	186	6	and	and	CCONJ
eurjchem-2484	186	7	374.16	374.16	NUM
eurjchem-2484	186	8	k	k	NOUN
eurjchem-2484	186	9	,	,	PUNCT
eurjchem-2484	186	10	which	which	PRON
eurjchem-2484	186	11	is	be	AUX
eurjchem-2484	186	12	irreversible	irreversible	ADJ
eurjchem-2484	186	13	,	,	PUNCT
eurjchem-2484	186	14	could	could	AUX
eurjchem-2484	186	15	be	be	AUX
eurjchem-2484	186	16	associated	associate	VERB
eurjchem-2484	186	17	with	with	ADP
eurjchem-2484	186	18	the	the	DET
eurjchem-2484	186	19	loss	loss	NOUN
eurjchem-2484	186	20	of	of	ADP
eurjchem-2484	186	21	crystallization	crystallization	NOUN
eurjchem-2484	186	22	water	water	NOUN
eurjchem-2484	186	23	.	.	PUNCT
eurjchem-2484	187	1	this	this	PRON
eurjchem-2484	187	2	is	be	AUX
eurjchem-2484	187	3	supported	support	VERB
eurjchem-2484	187	4	by	by	ADP
eurjchem-2484	187	5	the	the	DET
eurjchem-2484	187	6	observation	observation	NOUN
eurjchem-2484	187	7	that	that	SCONJ
eurjchem-2484	187	8	the	the	DET
eurjchem-2484	187	9	clear	clear	ADJ
eurjchem-2484	187	10	crystal	crystal	NOUN
eurjchem-2484	187	11	became	become	VERB
eurjchem-2484	187	12	opaque	opaque	ADJ
eurjchem-2484	187	13	when	when	SCONJ
eurjchem-2484	187	14	heated	heated	ADJ
eurjchem-2484	187	15	to	to	ADP
eurjchem-2484	187	16	374	374	NUM
eurjchem-2484	187	17	k.	k.	ADV
eurjchem-2484	187	18	additionally	additionally	ADV
eurjchem-2484	187	19	,	,	PUNCT
eurjchem-2484	187	20	the	the	DET
eurjchem-2484	187	21	sample	sample	NOUN
eurjchem-2484	187	22	had	have	AUX
eurjchem-2484	187	23	undergone	undergo	VERB
eurjchem-2484	187	24	weight	weight	NOUN
eurjchem-2484	187	25	loss	loss	NOUN
eurjchem-2484	187	26	.	.	PUNCT
eurjchem-2484	188	1	the	the	DET
eurjchem-2484	188	2	broad	broad	ADJ
eurjchem-2484	188	3	isotropic	isotropic	NOUN
eurjchem-2484	188	4	melting	melting	NOUN
eurjchem-2484	188	5	transition	transition	NOUN
eurjchem-2484	188	6	is	be	AUX
eurjchem-2484	188	7	seen	see	VERB
eurjchem-2484	188	8	at	at	ADP
eurjchem-2484	188	9	459.42	459.42	NUM
eurjchem-2484	188	10	k	k	X
eurjchem-2484	188	11	(	(	PUNCT
eurjchem-2484	188	12	figure	figure	NOUN
eurjchem-2484	188	13	4	4	NUM
eurjchem-2484	188	14	)	)	PUNCT
eurjchem-2484	188	15	.	.	PUNCT
eurjchem-2484	189	1	in	in	ADP
eurjchem-2484	189	2	4	4	NUM
eurjchem-2484	189	3	-	-	PUNCT
eurjchem-2484	189	4	cah2po4	cah2po4	NOUN
eurjchem-2484	189	5	,	,	PUNCT
eurjchem-2484	189	6	only	only	ADV
eurjchem-2484	189	7	a	a	DET
eurjchem-2484	189	8	broad	broad	ADJ
eurjchem-2484	189	9	isotropic	isotropic	NOUN
eurjchem-2484	189	10	melting	melting	NOUN
eurjchem-2484	189	11	transition	transition	NOUN
eurjchem-2484	189	12	is	be	AUX
eurjchem-2484	189	13	seen	see	VERB
eurjchem-2484	189	14	at	at	ADP
eurjchem-2484	189	15	466.33	466.33	NUM
eurjchem-2484	189	16	k	k	NOUN
eurjchem-2484	189	17	(	(	PUNCT
eurjchem-2484	189	18	table	table	NOUN
eurjchem-2484	189	19	4	4	NUM
eurjchem-2484	189	20	)	)	PUNCT
eurjchem-2484	189	21	.	.	PUNCT
eurjchem-2484	190	1	6	6	NUM
eurjchem-2484	190	2	lata	lata	PROPN
eurjchem-2484	190	3	panicker	panicker	NOUN
eurjchem-2484	190	4	/	/	SYM
eurjchem-2484	190	5	european	european	PROPN
eurjchem-2484	190	6	journal	journal	PROPN
eurjchem-2484	190	7	of	of	ADP
eurjchem-2484	190	8	chemistry	chemistry	NOUN
eurjchem-2484	190	9	15	15	NUM
eurjchem-2484	190	10	(	(	PUNCT
eurjchem-2484	190	11	1	1	NUM
eurjchem-2484	190	12	)	)	PUNCT
eurjchem-2484	190	13	(	(	PUNCT
eurjchem-2484	190	14	2024	2024	NUM
eurjchem-2484	190	15	)	)	PUNCT
eurjchem-2484	190	16	1	1	NUM
eurjchem-2484	190	17	-	-	SYM
eurjchem-2484	190	18	16	16	NUM
eurjchem-2484	190	19	2024	2024	NUM
eurjchem-2484	190	20	–	–	PUNCT
eurjchem-2484	190	21	european	european	ADJ
eurjchem-2484	190	22	journal	journal	NOUN
eurjchem-2484	190	23	of	of	ADP
eurjchem-2484	190	24	chemistry	chemistry	NOUN
eurjchem-2484	190	25	–	–	PUNCT
eurjchem-2484	190	26	cc	cc	NOUN
eurjchem-2484	190	27	by	by	ADP
eurjchem-2484	190	28	nc	nc	PROPN
eurjchem-2484	190	29	–	–	PUNCT
eurjchem-2484	190	30	doi	doi	PROPN
eurjchem-2484	190	31	:	:	PUNCT
eurjchem-2484	190	32	10.5155	10.5155	NUM
eurjchem-2484	190	33	/	/	SYM
eurjchem-2484	190	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	190	35	-	-	SYM
eurjchem-2484	190	36	16.2484	16.2484	NUM
eurjchem-2484	190	37	table	table	NOUN
eurjchem-2484	190	38	4	4	NUM
eurjchem-2484	190	39	.	.	PUNCT
eurjchem-2484	190	40	transition	transition	NOUN
eurjchem-2484	190	41	temperatures	temperature	NOUN
eurjchem-2484	190	42	and	and	CCONJ
eurjchem-2484	190	43	enthalpies	enthalpy	NOUN
eurjchem-2484	190	44	of	of	ADP
eurjchem-2484	190	45	crystal	crystal	NOUN
eurjchem-2484	190	46	to	to	ADP
eurjchem-2484	190	47	isotropic	isotropic	ADJ
eurjchem-2484	190	48	melting	melting	NOUN
eurjchem-2484	190	49	in	in	ADP
eurjchem-2484	190	50	4	4	NUM
eurjchem-2484	190	51	-	-	PUNCT
eurjchem-2484	190	52	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	190	53	,	,	PUNCT
eurjchem-2484	190	54	4	4	NUM
eurjchem-2484	190	55	-	-	NOUN
eurjchem-2484	190	56	cah2po4	cah2po4	NOUN
eurjchem-2484	190	57	,	,	PUNCT
eurjchem-2484	190	58	and	and	CCONJ
eurjchem-2484	190	59	4	4	NUM
eurjchem-2484	190	60	-	-	NUM
eurjchem-2484	190	61	aba	aba	PROPN
eurjchem-2484	190	62	.	.	PUNCT
eurjchem-2484	191	1	sample	sample	NOUN
eurjchem-2484	191	2	isotropic	isotropic	NOUN
eurjchem-2484	191	3	melting	melting	NOUN
eurjchem-2484	191	4	peak	peak	NOUN
eurjchem-2484	191	5	temperature	temperature	NOUN
eurjchem-2484	191	6	(	(	PUNCT
eurjchem-2484	191	7	k	k	NOUN
eurjchem-2484	191	8	)	)	PUNCT
eurjchem-2484	191	9	transition	transition	NOUN
eurjchem-2484	191	10	enthalpy	enthalpy	NOUN
eurjchem-2484	191	11	(	(	PUNCT
eurjchem-2484	191	12	j	j	PROPN
eurjchem-2484	191	13	/	/	SYM
eurjchem-2484	191	14	g	g	NOUN
eurjchem-2484	191	15	)	)	PUNCT
eurjchem-2484	191	16	4	4	NUM
eurjchem-2484	191	17	-	-	NUM
eurjchem-2484	191	18	aba	aba	PRON
eurjchem-2484	191	19	461.20	461.20	NUM
eurjchem-2484	191	20	-186.80	-186.80	NOUN
eurjchem-2484	191	21	4	4	NUM
eurjchem-2484	191	22	-	-	PUNCT
eurjchem-2484	191	23	cah2po4·h2o	cah2po4·h2o	VERB
eurjchem-2484	191	24	323.24	323.24	NUM
eurjchem-2484	191	25	374.16	374.16	NUM
eurjchem-2484	191	26	459.42	459.42	NUM
eurjchem-2484	191	27	-10.80	-10.80	PUNCT
eurjchem-2484	192	1	-12.50	-12.50	PROPN
eurjchem-2484	192	2	-276.82	-276.82	PROPN
eurjchem-2484	192	3	4	4	NUM
eurjchem-2484	192	4	-	-	PUNCT
eurjchem-2484	192	5	cah2po4	cah2po4	NOUN
eurjchem-2484	192	6	466.33	466.33	NUM
eurjchem-2484	192	7	-253.53	-253.53	PROPN
eurjchem-2484	192	8	figure	figure	NOUN
eurjchem-2484	192	9	4	4	NUM
eurjchem-2484	192	10	.	.	PUNCT
eurjchem-2484	192	11	dsc	dsc	NOUN
eurjchem-2484	192	12	heating	heating	NOUN
eurjchem-2484	192	13	thermograms	thermogram	NOUN
eurjchem-2484	192	14	at	at	ADP
eurjchem-2484	192	15	5	5	NUM
eurjchem-2484	192	16	°	°	NOUN
eurjchem-2484	192	17	c	c	NOUN
eurjchem-2484	192	18	/	/	SYM
eurjchem-2484	192	19	min	min	NOUN
eurjchem-2484	192	20	of	of	ADP
eurjchem-2484	192	21	(	(	PUNCT
eurjchem-2484	192	22	a	a	PRON
eurjchem-2484	192	23	)	)	PUNCT
eurjchem-2484	192	24	4	4	NUM
eurjchem-2484	192	25	-	-	PUNCT
eurjchem-2484	192	26	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	192	27	and	and	CCONJ
eurjchem-2484	192	28	(	(	PUNCT
eurjchem-2484	192	29	b	b	NOUN
eurjchem-2484	192	30	)	)	PUNCT
eurjchem-2484	192	31	4	4	NUM
eurjchem-2484	192	32	-	-	NUM
eurjchem-2484	192	33	aba	aba	NOUN
eurjchem-2484	192	34	in	in	ADP
eurjchem-2484	192	35	the	the	DET
eurjchem-2484	192	36	temperature	temperature	NOUN
eurjchem-2484	192	37	range	range	NOUN
eurjchem-2484	192	38	of	of	ADP
eurjchem-2484	192	39	293	293	NUM
eurjchem-2484	192	40	to	to	PART
eurjchem-2484	192	41	480	480	NUM
eurjchem-2484	192	42	k.	k.	NOUN
eurjchem-2484	192	43	the	the	DET
eurjchem-2484	192	44	dotted	dotted	ADJ
eurjchem-2484	192	45	curve	curve	NOUN
eurjchem-2484	192	46	gives	give	VERB
eurjchem-2484	192	47	the	the	DET
eurjchem-2484	192	48	transition	transition	NOUN
eurjchem-2484	192	49	seen	see	VERB
eurjchem-2484	192	50	in	in	ADP
eurjchem-2484	192	51	4	4	NUM
eurjchem-2484	192	52	-	-	PUNCT
eurjchem-2484	192	53	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	192	54	from	from	ADP
eurjchem-2484	192	55	300	300	NUM
eurjchem-2484	192	56	to	to	ADP
eurjchem-2484	192	57	410	410	NUM
eurjchem-2484	192	58	k	k	NOUN
eurjchem-2484	192	59	(	(	PUNCT
eurjchem-2484	192	60	expanded	expand	VERB
eurjchem-2484	192	61	16	16	NUM
eurjchem-2484	192	62	times	time	NOUN
eurjchem-2484	192	63	)	)	PUNCT
eurjchem-2484	192	64	.	.	PUNCT
eurjchem-2484	193	1	figure	figure	NOUN
eurjchem-2484	193	2	5	5	NUM
eurjchem-2484	193	3	.	.	PUNCT
eurjchem-2484	193	4	ftir	ftir	PROPN
eurjchem-2484	193	5	spectra	spectra	PROPN
eurjchem-2484	193	6	at	at	ADP
eurjchem-2484	193	7	298	298	NUM
eurjchem-2484	193	8	k	k	NOUN
eurjchem-2484	193	9	of	of	ADP
eurjchem-2484	193	10	(	(	PUNCT
eurjchem-2484	193	11	a	a	PRON
eurjchem-2484	193	12	)	)	PUNCT
eurjchem-2484	193	13	4	4	NUM
eurjchem-2484	193	14	-	-	PUNCT
eurjchem-2484	193	15	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	193	16	,	,	PUNCT
eurjchem-2484	193	17	(	(	PUNCT
eurjchem-2484	193	18	b	b	X
eurjchem-2484	193	19	)	)	PUNCT
eurjchem-2484	193	20	d4	d4	PROPN
eurjchem-2484	193	21	-	-	PUNCT
eurjchem-2484	193	22	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	193	23	,	,	PUNCT
eurjchem-2484	193	24	(	(	PUNCT
eurjchem-2484	193	25	c	c	NOUN
eurjchem-2484	193	26	)	)	PUNCT
eurjchem-2484	193	27	4	4	NUM
eurjchem-2484	193	28	-	-	NUM
eurjchem-2484	193	29	aba	aba	PRON
eurjchem-2484	193	30	and	and	CCONJ
eurjchem-2484	193	31	(	(	PUNCT
eurjchem-2484	193	32	d	d	NOUN
eurjchem-2484	193	33	)	)	PUNCT
eurjchem-2484	193	34	d4	d4	PROPN
eurjchem-2484	193	35	-	-	PUNCT
eurjchem-2484	193	36	aba	aba	PROPN
eurjchem-2484	193	37	in	in	ADP
eurjchem-2484	193	38	3600	3600	NUM
eurjchem-2484	193	39	-	-	SYM
eurjchem-2484	193	40	1800	1800	NUM
eurjchem-2484	193	41	cm-1	cm-1	NOUN
eurjchem-2484	193	42	.	.	PUNCT
eurjchem-2484	194	1	3.3	3.3	NUM
eurjchem-2484	194	2	.	.	PUNCT
eurjchem-2484	195	1	ftir	ftir	PROPN
eurjchem-2484	195	2	spectra	spectra	PROPN
eurjchem-2484	195	3	ftir	ftir	PROPN
eurjchem-2484	195	4	spectra	spectra	PROPN
eurjchem-2484	195	5	of	of	ADP
eurjchem-2484	195	6	4	4	NUM
eurjchem-2484	195	7	-	-	PUNCT
eurjchem-2484	195	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	195	9	,	,	PUNCT
eurjchem-2484	195	10	d4	d4	PROPN
eurjchem-2484	195	11	-	-	PUNCT
eurjchem-2484	195	12	cah2po4·h2o	cah2po4·h2o	PROPN
eurjchem-2484	195	13	,	,	PUNCT
eurjchem-2484	195	14	4	4	NUM
eurjchem-2484	195	15	-	-	NUM
eurjchem-2484	195	16	aba	aba	PROPN
eurjchem-2484	195	17	and	and	CCONJ
eurjchem-2484	195	18	d4	d4	PROPN
eurjchem-2484	195	19	-	-	PUNCT
eurjchem-2484	195	20	aba	aba	PROPN
eurjchem-2484	195	21	at	at	ADP
eurjchem-2484	195	22	298	298	NUM
eurjchem-2484	195	23	k	k	NOUN
eurjchem-2484	195	24	were	be	AUX
eurjchem-2484	195	25	recorded	record	VERB
eurjchem-2484	195	26	in	in	ADP
eurjchem-2484	195	27	the	the	DET
eurjchem-2484	195	28	1800	1800	NUM
eurjchem-2484	195	29	-	-	SYM
eurjchem-2484	195	30	3600	3600	NUM
eurjchem-2484	195	31	cm-1	cm-1	NOUN
eurjchem-2484	195	32	and	and	CCONJ
eurjchem-2484	195	33	650	650	NUM
eurjchem-2484	195	34	-	-	SYM
eurjchem-2484	195	35	1800	1800	NUM
eurjchem-2484	195	36	cm-1	cm-1	NOUN
eurjchem-2484	195	37	region	region	NOUN
eurjchem-2484	195	38	,	,	PUNCT
eurjchem-2484	195	39	and	and	CCONJ
eurjchem-2484	195	40	are	be	AUX
eurjchem-2484	195	41	shown	show	VERB
eurjchem-2484	195	42	in	in	ADP
eurjchem-2484	195	43	figures	figure	NOUN
eurjchem-2484	195	44	5	5	NUM
eurjchem-2484	195	45	and	and	CCONJ
eurjchem-2484	195	46	6	6	NUM
eurjchem-2484	195	47	,	,	PUNCT
eurjchem-2484	195	48	respectively	respectively	ADV
eurjchem-2484	195	49	.	.	PUNCT
eurjchem-2484	196	1	the	the	DET
eurjchem-2484	196	2	ir	ir	PROPN
eurjchem-2484	196	3	vibrational	vibrational	ADJ
eurjchem-2484	196	4	mode	mode	NOUN
eurjchem-2484	196	5	assignments	assignment	NOUN
eurjchem-2484	196	6	for	for	ADP
eurjchem-2484	196	7	the	the	DET
eurjchem-2484	196	8	different	different	ADJ
eurjchem-2484	196	9	modes	mode	NOUN
eurjchem-2484	196	10	observed	observe	VERB
eurjchem-2484	196	11	in	in	ADP
eurjchem-2484	196	12	these	these	DET
eurjchem-2484	196	13	compounds	compound	NOUN
eurjchem-2484	196	14	are	be	AUX
eurjchem-2484	196	15	given	give	VERB
eurjchem-2484	196	16	in	in	ADP
eurjchem-2484	196	17	table	table	NOUN
eurjchem-2484	196	18	5	5	NUM
eurjchem-2484	196	19	.	.	PUNCT
eurjchem-2484	197	1	the	the	DET
eurjchem-2484	197	2	vibrational	vibrational	ADJ
eurjchem-2484	197	3	spectra	spectra	NOUN
eurjchem-2484	197	4	and	and	CCONJ
eurjchem-2484	197	5	assignments	assignment	NOUN
eurjchem-2484	197	6	of	of	ADP
eurjchem-2484	197	7	most	most	ADJ
eurjchem-2484	197	8	of	of	ADP
eurjchem-2484	197	9	the	the	DET
eurjchem-2484	197	10	modes	mode	NOUN
eurjchem-2484	197	11	of	of	ADP
eurjchem-2484	197	12	4	4	NUM
eurjchem-2484	197	13	-	-	PUNCT
eurjchem-2484	197	14	aba	aba	PROPN
eurjchem-2484	197	15	and	and	CCONJ
eurjchem-2484	197	16	d4	d4	PROPN
eurjchem-2484	197	17	-	-	PUNCT
eurjchem-2484	197	18	aba	aba	PROPN
eurjchem-2484	197	19	obtained	obtain	VERB
eurjchem-2484	197	20	are	be	AUX
eurjchem-2484	197	21	consistent	consistent	ADJ
eurjchem-2484	197	22	with	with	ADP
eurjchem-2484	197	23	the	the	DET
eurjchem-2484	197	24	reported	report	VERB
eurjchem-2484	197	25	data	datum	NOUN
eurjchem-2484	197	26	[	[	X
eurjchem-2484	197	27	28	28	NUM
eurjchem-2484	197	28	-	-	SYM
eurjchem-2484	197	29	30	30	NUM
eurjchem-2484	197	30	]	]	PUNCT
eurjchem-2484	197	31	.	.	PUNCT
eurjchem-2484	198	1	the	the	DET
eurjchem-2484	198	2	spectrum	spectrum	NOUN
eurjchem-2484	198	3	of	of	ADP
eurjchem-2484	198	4	the	the	DET
eurjchem-2484	198	5	deuterated	deuterate	VERB
eurjchem-2484	198	6	compound	compound	NOUN
eurjchem-2484	198	7	was	be	AUX
eurjchem-2484	198	8	analyzed	analyze	VERB
eurjchem-2484	198	9	and	and	CCONJ
eurjchem-2484	198	10	used	use	VERB
eurjchem-2484	198	11	for	for	ADP
eurjchem-2484	198	12	the	the	DET
eurjchem-2484	198	13	assignment	assignment	NOUN
eurjchem-2484	198	14	of	of	ADP
eurjchem-2484	198	15	functional	functional	ADJ
eurjchem-2484	198	16	groups	group	NOUN
eurjchem-2484	198	17	(	(	PUNCT
eurjchem-2484	198	18	-nh2	-nh2	PROPN
eurjchem-2484	198	19	-nh3	-nh3	PUNCT
eurjchem-2484	198	20	+	+	ADJ
eurjchem-2484	198	21	,	,	PUNCT
eurjchem-2484	198	22	-oh	-oh	NOUN
eurjchem-2484	198	23	)	)	PUNCT
eurjchem-2484	198	24	.	.	PUNCT
eurjchem-2484	199	1	when	when	SCONJ
eurjchem-2484	199	2	comparing	compare	VERB
eurjchem-2484	199	3	the	the	DET
eurjchem-2484	199	4	4cah2po4·h2o	4cah2po4·h2o	NUM
eurjchem-2484	199	5	spectra	spectra	NOUN
eurjchem-2484	199	6	with	with	ADP
eurjchem-2484	199	7	those	those	PRON
eurjchem-2484	199	8	of	of	ADP
eurjchem-2484	199	9	the	the	DET
eurjchem-2484	199	10	parent	parent	NOUN
eurjchem-2484	199	11	compound	compound	NOUN
eurjchem-2484	199	12	,	,	PUNCT
eurjchem-2484	199	13	4aba	4aba	NUM
eurjchem-2484	199	14	,	,	PUNCT
eurjchem-2484	199	15	it	it	PRON
eurjchem-2484	199	16	is	be	AUX
eurjchem-2484	199	17	clearly	clearly	ADV
eurjchem-2484	199	18	seen	see	VERB
eurjchem-2484	199	19	that	that	SCONJ
eurjchem-2484	199	20	the	the	DET
eurjchem-2484	199	21	various	various	ADJ
eurjchem-2484	199	22	vibrational	vibrational	ADJ
eurjchem-2484	199	23	bands	band	NOUN
eurjchem-2484	199	24	of	of	ADP
eurjchem-2484	199	25	4aba	4aba	PROPN
eurjchem-2484	199	26	are	be	AUX
eurjchem-2484	199	27	affected	affect	VERB
eurjchem-2484	199	28	by	by	ADP
eurjchem-2484	199	29	the	the	DET
eurjchem-2484	199	30	complexation	complexation	NOUN
eurjchem-2484	199	31	(	(	PUNCT
eurjchem-2484	199	32	figures	figure	NOUN
eurjchem-2484	199	33	5	5	NUM
eurjchem-2484	199	34	and	and	CCONJ
eurjchem-2484	199	35	6	6	NUM
eurjchem-2484	199	36	)	)	PUNCT
eurjchem-2484	199	37	(	(	PUNCT
eurjchem-2484	199	38	table	table	NOUN
eurjchem-2484	199	39	5	5	NUM
eurjchem-2484	199	40	)	)	PUNCT
eurjchem-2484	199	41	.	.	PUNCT
eurjchem-2484	200	1	this	this	PRON
eurjchem-2484	200	2	is	be	AUX
eurjchem-2484	200	3	due	due	ADJ
eurjchem-2484	200	4	to	to	ADP
eurjchem-2484	200	5	the	the	DET
eurjchem-2484	200	6	different	different	ADJ
eurjchem-2484	200	7	types	type	NOUN
eurjchem-2484	200	8	of	of	ADP
eurjchem-2484	200	9	intermolecular	intermolecular	ADJ
eurjchem-2484	200	10	interactions	interaction	NOUN
eurjchem-2484	200	11	through	through	ADP
eurjchem-2484	200	12	hydrogen	hydrogen	NOUN
eurjchem-2484	200	13	bonds	bond	NOUN
eurjchem-2484	200	14	existing	exist	VERB
eurjchem-2484	200	15	in	in	ADP
eurjchem-2484	200	16	4	4	NUM
eurjchem-2484	200	17	-	-	NUM
eurjchem-2484	200	18	aba	aba	NOUN
eurjchem-2484	200	19	and	and	CCONJ
eurjchem-2484	200	20	4cah2po4·h2o	4cah2po4·h2o	NUM
eurjchem-2484	200	21	,	,	PUNCT
eurjchem-2484	200	22	respectively	respectively	ADV
eurjchem-2484	200	23	.	.	PUNCT
eurjchem-2484	201	1	thus	thus	ADV
eurjchem-2484	201	2	,	,	PUNCT
eurjchem-2484	201	3	the	the	DET
eurjchem-2484	201	4	mode	mode	NOUN
eurjchem-2484	201	5	frequencies	frequency	NOUN
eurjchem-2484	201	6	of	of	ADP
eurjchem-2484	201	7	the	the	DET
eurjchem-2484	201	8	functional	functional	ADJ
eurjchem-2484	201	9	groups	group	NOUN
eurjchem-2484	201	10	that	that	PRON
eurjchem-2484	201	11	participate	participate	VERB
eurjchem-2484	201	12	in	in	ADP
eurjchem-2484	201	13	the	the	DET
eurjchem-2484	201	14	hydrogen	hydrogen	NOUN
eurjchem-2484	201	15	bonding	bonding	NOUN
eurjchem-2484	201	16	are	be	AUX
eurjchem-2484	201	17	often	often	ADV
eurjchem-2484	201	18	altered	alter	VERB
eurjchem-2484	201	19	;	;	PUNCT
eurjchem-2484	201	20	the	the	DET
eurjchem-2484	201	21	extent	extent	NOUN
eurjchem-2484	201	22	of	of	ADP
eurjchem-2484	201	23	the	the	DET
eurjchem-2484	201	24	shift	shift	NOUN
eurjchem-2484	201	25	depends	depend	VERB
eurjchem-2484	201	26	on	on	ADP
eurjchem-2484	201	27	the	the	DET
eurjchem-2484	201	28	strength	strength	NOUN
eurjchem-2484	201	29	of	of	ADP
eurjchem-2484	201	30	interaction	interaction	NOUN
eurjchem-2484	201	31	.	.	PUNCT
eurjchem-2484	202	1	therefore	therefore	ADV
eurjchem-2484	202	2	,	,	PUNCT
eurjchem-2484	202	3	the	the	DET
eurjchem-2484	202	4	ftir	ftir	PROPN
eurjchem-2484	202	5	spectrum	spectrum	NOUN
eurjchem-2484	202	6	of	of	ADP
eurjchem-2484	202	7	4	4	NUM
eurjchem-2484	202	8	-	-	PUNCT
eurjchem-2484	202	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	202	10	,	,	PUNCT
eurjchem-2484	202	11	is	be	AUX
eurjchem-2484	202	12	significantly	significantly	ADV
eurjchem-2484	202	13	different	different	ADJ
eurjchem-2484	202	14	from	from	ADP
eurjchem-2484	202	15	those	those	PRON
eurjchem-2484	202	16	of	of	ADP
eurjchem-2484	202	17	the	the	DET
eurjchem-2484	202	18	parent	parent	NOUN
eurjchem-2484	202	19	component	component	NOUN
eurjchem-2484	202	20	4aba	4aba	NOUN
eurjchem-2484	202	21	.	.	PUNCT
eurjchem-2484	203	1	3.3.1	3.3.1	X
eurjchem-2484	203	2	.	.	PUNCT
eurjchem-2484	204	1	the	the	DET
eurjchem-2484	204	2	vibrations	vibration	NOUN
eurjchem-2484	204	3	of	of	ADP
eurjchem-2484	204	4	4	4	NUM
eurjchem-2484	204	5	-	-	PUNCT
eurjchem-2484	204	6	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	204	7	cations	cation	NOUN
eurjchem-2484	204	8	and	and	CCONJ
eurjchem-2484	204	9	phosphate	phosphate	ADJ
eurjchem-2484	204	10	anions	anion	NOUN
eurjchem-2484	204	11	the	the	DET
eurjchem-2484	204	12	compound	compound	NOUN
eurjchem-2484	204	13	4	4	NUM
eurjchem-2484	204	14	-	-	PUNCT
eurjchem-2484	204	15	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	204	16	is	be	AUX
eurjchem-2484	204	17	an	an	DET
eurjchem-2484	204	18	ionic	ionic	ADJ
eurjchem-2484	204	19	molecular	molecular	ADJ
eurjchem-2484	204	20	crystal	crystal	NOUN
eurjchem-2484	204	21	with	with	ADP
eurjchem-2484	204	22	the	the	DET
eurjchem-2484	204	23	-nh3	-nh3	PROPN
eurjchem-2484	204	24	+	+	ADJ
eurjchem-2484	204	25	,	,	PUNCT
eurjchem-2484	204	26	-cooh	-cooh	ADJ
eurjchem-2484	204	27	and	and	CCONJ
eurjchem-2484	204	28	h2po4	h2po4	ADJ
eurjchem-2484	204	29	–	–	PUNCT
eurjchem-2484	204	30	groups	group	NOUN
eurjchem-2484	204	31	.	.	PUNCT
eurjchem-2484	205	1	however	however	ADV
eurjchem-2484	205	2	,	,	PUNCT
eurjchem-2484	205	3	the	the	DET
eurjchem-2484	205	4	4	4	NUM
eurjchem-2484	205	5	-	-	PUNCT
eurjchem-2484	205	6	aba	aba	PROPN
eurjchem-2484	205	7	molecule	molecule	NOUN
eurjchem-2484	205	8	is	be	AUX
eurjchem-2484	205	9	neutral	neutral	ADJ
eurjchem-2484	205	10	with	with	ADP
eurjchem-2484	205	11	-nh2	-nh2	PROPN
eurjchem-2484	205	12	and	and	CCONJ
eurjchem-2484	205	13	-cooh	-cooh	ADJ
eurjchem-2484	205	14	groups	group	NOUN
eurjchem-2484	205	15	.	.	PUNCT
eurjchem-2484	206	1	in	in	ADP
eurjchem-2484	206	2	the	the	DET
eurjchem-2484	206	3	4	4	NUM
eurjchem-2484	206	4	-	-	PUNCT
eurjchem-2484	206	5	aba	aba	NOUN
eurjchem-2484	206	6	crystal	crystal	NOUN
eurjchem-2484	206	7	structure	structure	NOUN
eurjchem-2484	206	8	pair	pair	NOUN
eurjchem-2484	206	9	of	of	ADP
eurjchem-2484	206	10	organic	organic	ADJ
eurjchem-2484	206	11	molecules	molecule	NOUN
eurjchem-2484	206	12	,	,	PUNCT
eurjchem-2484	206	13	4	4	NUM
eurjchem-2484	206	14	-	-	X
eurjchem-2484	206	15	aba	aba	PROPN
eurjchem-2484	206	16	is	be	AUX
eurjchem-2484	206	17	linked	link	VERB
eurjchem-2484	206	18	together	together	ADV
eurjchem-2484	206	19	to	to	PART
eurjchem-2484	206	20	form	form	VERB
eurjchem-2484	206	21	cyclic	cyclic	ADJ
eurjchem-2484	206	22	-cooh	-cooh	ADJ
eurjchem-2484	206	23	dimers	dimer	NOUN
eurjchem-2484	206	24	through	through	ADP
eurjchem-2484	206	25	a	a	DET
eurjchem-2484	206	26	strong	strong	ADJ
eurjchem-2484	206	27	o	o	ADJ
eurjchem-2484	206	28	-	-	ADJ
eurjchem-2484	206	29	h···o	h···o	PROPN
eurjchem-2484	206	30	hydrogen	hydrogen	NOUN
eurjchem-2484	206	31	bond	bond	NOUN
eurjchem-2484	206	32	arranged	arrange	VERB
eurjchem-2484	206	33	around	around	ADP
eurjchem-2484	206	34	a	a	DET
eurjchem-2484	206	35	center	center	NOUN
eurjchem-2484	206	36	of	of	ADP
eurjchem-2484	206	37	symmetry	symmetry	NOUN
eurjchem-2484	206	38	(	(	PUNCT
eurjchem-2484	206	39	figure	figure	NOUN
eurjchem-2484	206	40	7a	7a	NUM
eurjchem-2484	206	41	)	)	PUNCT
eurjchem-2484	206	42	.	.	PUNCT
eurjchem-2484	207	1	the	the	DET
eurjchem-2484	207	2	-nh2	-nh2	PROPN
eurjchem-2484	207	3	group	group	NOUN
eurjchem-2484	207	4	also	also	ADV
eurjchem-2484	207	5	forms	form	VERB
eurjchem-2484	207	6	a	a	DET
eurjchem-2484	207	7	hydrogen	hydrogen	NOUN
eurjchem-2484	207	8	bond	bond	NOUN
eurjchem-2484	207	9	with	with	ADP
eurjchem-2484	207	10	the	the	DET
eurjchem-2484	207	11	-cooh	-cooh	ADJ
eurjchem-2484	207	12	group	group	NOUN
eurjchem-2484	207	13	(	(	PUNCT
eurjchem-2484	207	14	figure	figure	NOUN
eurjchem-2484	207	15	7a	7a	NUM
eurjchem-2484	207	16	)	)	PUNCT
eurjchem-2484	207	17	.	.	PUNCT
eurjchem-2484	208	1	however	however	ADV
eurjchem-2484	208	2	,	,	PUNCT
eurjchem-2484	208	3	in	in	ADP
eurjchem-2484	208	4	4	4	NUM
eurjchem-2484	208	5	-	-	PUNCT
eurjchem-2484	208	6	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	208	7	,	,	PUNCT
eurjchem-2484	208	8	(	(	PUNCT
eurjchem-2484	208	9	a	a	X
eurjchem-2484	208	10	)	)	PUNCT
eurjchem-2484	208	11	nh3	nh3	NOUN
eurjchem-2484	208	12	+	+	PROPN
eurjchem-2484	208	13	forms	form	VERB
eurjchem-2484	208	14	hydrogen	hydrogen	NOUN
eurjchem-2484	208	15	bond	bond	NOUN
eurjchem-2484	208	16	with	with	ADP
eurjchem-2484	208	17	h2po4and	h2po4and	NOUN
eurjchem-2484	208	18	water	water	NOUN
eurjchem-2484	208	19	molecules	molecule	NOUN
eurjchem-2484	208	20	and	and	CCONJ
eurjchem-2484	208	21	(	(	PUNCT
eurjchem-2484	208	22	b	b	X
eurjchem-2484	208	23	)	)	PUNCT
eurjchem-2484	208	24	-cooh	-cooh	ADJ
eurjchem-2484	208	25	forms	form	NOUN
eurjchem-2484	208	26	hydrogen	hydrogen	NOUN
eurjchem-2484	208	27	bond	bond	NOUN
eurjchem-2484	208	28	with	with	ADP
eurjchem-2484	208	29	h2po4	h2po4	NOUN
eurjchem-2484	208	30	–	–	PUNCT
eurjchem-2484	208	31	(	(	PUNCT
eurjchem-2484	208	32	figure	figure	NOUN
eurjchem-2484	208	33	7b	7b	NUM
eurjchem-2484	208	34	)	)	PUNCT
eurjchem-2484	208	35	.	.	PUNCT
eurjchem-2484	209	1	the	the	DET
eurjchem-2484	209	2	differences	difference	NOUN
eurjchem-2484	209	3	in	in	ADP
eurjchem-2484	209	4	hydrogen	hydrogen	NOUN
eurjchem-2484	209	5	bonding	bonding	NOUN
eurjchem-2484	209	6	interactions	interaction	NOUN
eurjchem-2484	209	7	observed	observe	VERB
eurjchem-2484	209	8	in	in	ADP
eurjchem-2484	209	9	these	these	DET
eurjchem-2484	209	10	crystals	crystal	NOUN
eurjchem-2484	209	11	are	be	AUX
eurjchem-2484	209	12	clearly	clearly	ADV
eurjchem-2484	209	13	reflected	reflect	VERB
eurjchem-2484	209	14	in	in	ADP
eurjchem-2484	209	15	the	the	DET
eurjchem-2484	209	16	ftir	ftir	PROPN
eurjchem-2484	209	17	spectra	spectra	PROPN
eurjchem-2484	209	18	.	.	PUNCT
eurjchem-2484	210	1	the	the	DET
eurjchem-2484	210	2	mode	mode	NOUN
eurjchem-2484	210	3	assignment	assignment	NOUN
eurjchem-2484	210	4	of	of	ADP
eurjchem-2484	210	5	4	4	NUM
eurjchem-2484	210	6	-	-	PUNCT
eurjchem-2484	210	7	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	210	8	(	(	PUNCT
eurjchem-2484	210	9	d4	d4	PROPN
eurjchem-2484	210	10	-	-	PUNCT
eurjchem-2484	210	11	cah2po4·h2o	cah2po4·h2o	PROPN
eurjchem-2484	210	12	)	)	PUNCT
eurjchem-2484	210	13	crystals	crystal	NOUN
eurjchem-2484	210	14	was	be	AUX
eurjchem-2484	210	15	carried	carry	VERB
eurjchem-2484	210	16	out	out	ADP
eurjchem-2484	210	17	by	by	ADP
eurjchem-2484	210	18	comparing	compare	VERB
eurjchem-2484	210	19	the	the	DET
eurjchem-2484	210	20	observed	observe	VERB
eurjchem-2484	210	21	ir	ir	NOUN
eurjchem-2484	210	22	frequencies	frequency	NOUN
eurjchem-2484	210	23	to	to	ADP
eurjchem-2484	210	24	those	those	PRON
eurjchem-2484	210	25	reported	report	VERB
eurjchem-2484	210	26	for	for	ADP
eurjchem-2484	210	27	the	the	DET
eurjchem-2484	210	28	parent	parent	NOUN
eurjchem-2484	210	29	compound	compound	NOUN
eurjchem-2484	210	30	4	4	NUM
eurjchem-2484	210	31	-	-	NUM
eurjchem-2484	210	32	aba	aba	PROPN
eurjchem-2484	210	33	(	(	PUNCT
eurjchem-2484	210	34	d4	d4	PROPN
eurjchem-2484	210	35	-	-	PUNCT
eurjchem-2484	210	36	aba	aba	PROPN
eurjchem-2484	210	37	)	)	PUNCT
eurjchem-2484	211	1	[	[	X
eurjchem-2484	211	2	28	28	NUM
eurjchem-2484	211	3	-	-	SYM
eurjchem-2484	211	4	30	30	NUM
eurjchem-2484	211	5	]	]	PUNCT
eurjchem-2484	211	6	.	.	PUNCT
eurjchem-2484	212	1	lata	lata	PROPN
eurjchem-2484	212	2	panicker	panicker	PROPN
eurjchem-2484	212	3	/	/	SYM
eurjchem-2484	212	4	european	european	PROPN
eurjchem-2484	212	5	journal	journal	PROPN
eurjchem-2484	212	6	of	of	ADP
eurjchem-2484	212	7	chemistry	chemistry	NOUN
eurjchem-2484	212	8	15	15	NUM
eurjchem-2484	212	9	(	(	PUNCT
eurjchem-2484	212	10	1	1	NUM
eurjchem-2484	212	11	)	)	PUNCT
eurjchem-2484	212	12	(	(	PUNCT
eurjchem-2484	212	13	2024	2024	NUM
eurjchem-2484	212	14	)	)	PUNCT
eurjchem-2484	212	15	1	1	NUM
eurjchem-2484	212	16	-	-	SYM
eurjchem-2484	212	17	16	16	NUM
eurjchem-2484	212	18	7	7	NUM
eurjchem-2484	212	19	2024	2024	NUM
eurjchem-2484	212	20	–	–	PUNCT
eurjchem-2484	212	21	european	european	ADJ
eurjchem-2484	212	22	journal	journal	NOUN
eurjchem-2484	212	23	of	of	ADP
eurjchem-2484	212	24	chemistry	chemistry	NOUN
eurjchem-2484	212	25	–	–	PUNCT
eurjchem-2484	212	26	cc	cc	NOUN
eurjchem-2484	212	27	by	by	ADP
eurjchem-2484	212	28	nc	nc	PROPN
eurjchem-2484	212	29	–	–	PUNCT
eurjchem-2484	212	30	doi	doi	PROPN
eurjchem-2484	212	31	:	:	PUNCT
eurjchem-2484	212	32	10.5155	10.5155	NUM
eurjchem-2484	212	33	/	/	SYM
eurjchem-2484	212	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	212	35	-	-	SYM
eurjchem-2484	212	36	16.2484	16.2484	NUM
eurjchem-2484	212	37	table	table	NOUN
eurjchem-2484	212	38	5	5	NUM
eurjchem-2484	212	39	.	.	PUNCT
eurjchem-2484	213	1	assignment	assignment	NOUN
eurjchem-2484	213	2	of	of	ADP
eurjchem-2484	213	3	the	the	DET
eurjchem-2484	213	4	ir	ir	PROPN
eurjchem-2484	213	5	vibrational	vibrational	ADJ
eurjchem-2484	213	6	frequencies	frequency	NOUN
eurjchem-2484	213	7	(	(	PUNCT
eurjchem-2484	213	8	cm-1	cm-1	X
eurjchem-2484	213	9	)	)	PUNCT
eurjchem-2484	213	10	of	of	ADP
eurjchem-2484	213	11	the	the	DET
eurjchem-2484	213	12	bands	band	NOUN
eurjchem-2484	213	13	observed	observe	VERB
eurjchem-2484	213	14	in	in	ADP
eurjchem-2484	213	15	4	4	NUM
eurjchem-2484	213	16	-	-	PUNCT
eurjchem-2484	213	17	aba	aba	PROPN
eurjchem-2484	213	18	,	,	PUNCT
eurjchem-2484	213	19	d4	d4	PROPN
eurjchem-2484	213	20	-	-	PUNCT
eurjchem-2484	213	21	aba	aba	PROPN
eurjchem-2484	213	22	,	,	PUNCT
eurjchem-2484	213	23	4	4	NUM
eurjchem-2484	213	24	-	-	PUNCT
eurjchem-2484	213	25	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	213	26	and	and	CCONJ
eurjchem-2484	213	27	d4	d4	PROPN
eurjchem-2484	213	28	-	-	PUNCT
eurjchem-2484	213	29	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	213	30	measured	measure	VERB
eurjchem-2484	213	31	at	at	ADP
eurjchem-2484	213	32	298	298	NUM
eurjchem-2484	213	33	k	k	NOUN
eurjchem-2484	213	34	and	and	CCONJ
eurjchem-2484	213	35	the	the	DET
eurjchem-2484	213	36	dft	dft	NOUN
eurjchem-2484	213	37	calculated	calculate	VERB
eurjchem-2484	213	38	frequencies	frequency	NOUN
eurjchem-2484	213	39	of	of	ADP
eurjchem-2484	213	40	4	4	NUM
eurjchem-2484	213	41	-	-	PUNCT
eurjchem-2484	213	42	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	213	43	.	.	NOUN
eurjchem-2484	214	1	4	4	NUM
eurjchem-2484	214	2	-	-	NUM
eurjchem-2484	214	3	aba	aba	PROPN
eurjchem-2484	214	4	d4	d4	PROPN
eurjchem-2484	214	5	-	-	PUNCT
eurjchem-2484	214	6	aba	aba	PROPN
eurjchem-2484	214	7	4	4	NUM
eurjchem-2484	214	8	-	-	PUNCT
eurjchem-2484	214	9	cah2po4·h2o	cah2po4·h2o	PRON
eurjchem-2484	214	10	d4	d4	NOUN
eurjchem-2484	214	11	-	-	PUNCT
eurjchem-2484	214	12	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	214	13	assignments	assignment	NOUN
eurjchem-2484	214	14	*	*	PUNCT
eurjchem-2484	214	15	4	4	NUM
eurjchem-2484	214	16	-	-	PUNCT
eurjchem-2484	214	17	cah2po4·h2o	cah2po4·h2o	PROPN
eurjchem-2484	214	18	(	(	PUNCT
eurjchem-2484	214	19	dft	dft	NOUN
eurjchem-2484	214	20	)	)	PUNCT
eurjchem-2484	214	21	3458	3458	NUM
eurjchem-2484	214	22	νasnh2	νasnh2	PROPN
eurjchem-2484	214	23	3361	3361	NUM
eurjchem-2484	214	24	νsnh2	νsnh2	NOUN
eurjchem-2484	214	25	3090	3090	NUM
eurjchem-2484	214	26	to	to	ADP
eurjchem-2484	214	27	2550	2550	NUM
eurjchem-2484	214	28	3100	3100	NUM
eurjchem-2484	214	29	to	to	ADP
eurjchem-2484	214	30	2500	2500	NUM
eurjchem-2484	214	31	νoh	νoh	NOUN
eurjchem-2484	214	32	3725	3725	NUM
eurjchem-2484	214	33	,	,	PUNCT
eurjchem-2484	214	34	3348	3348	NUM
eurjchem-2484	214	35	(	(	PUNCT
eurjchem-2484	214	36	water	water	NOUN
eurjchem-2484	214	37	)	)	PUNCT
eurjchem-2484	214	38	,	,	PUNCT
eurjchem-2484	214	39	3675	3675	NUM
eurjchem-2484	214	40	,	,	PUNCT
eurjchem-2484	214	41	3655	3655	NUM
eurjchem-2484	214	42	(	(	PUNCT
eurjchem-2484	214	43	h2po4	h2po4	NOUN
eurjchem-2484	214	44	–	–	PUNCT
eurjchem-2484	214	45	)	)	PUNCT
eurjchem-2484	214	46	,	,	PUNCT
eurjchem-2484	214	47	3630	3630	NUM
eurjchem-2484	214	48	(	(	PUNCT
eurjchem-2484	214	49	4	4	NUM
eurjchem-2484	214	50	-	-	PUNCT
eurjchem-2484	214	51	ca	ca	NOUN
eurjchem-2484	214	52	)	)	PUNCT
eurjchem-2484	214	53	3226	3226	NUM
eurjchem-2484	214	54	,	,	PUNCT
eurjchem-2484	214	55	3067	3067	NUM
eurjchem-2484	214	56	2660	2660	NUM
eurjchem-2484	214	57	,	,	PUNCT
eurjchem-2484	214	58	2628	2628	NUM
eurjchem-2484	214	59	νasnh3	νasnh3	NOUN
eurjchem-2484	214	60	+	+	X
eurjchem-2484	214	61	νsnh3	νsnh3	NOUN
eurjchem-2484	214	62	+	+	SYM
eurjchem-2484	214	63	3371	3371	NUM
eurjchem-2484	214	64	,	,	PUNCT
eurjchem-2484	214	65	2892	2892	NUM
eurjchem-2484	214	66	,	,	PUNCT
eurjchem-2484	214	67	2568	2568	NUM
eurjchem-2484	214	68	(	(	PUNCT
eurjchem-2484	214	69	4	4	NUM
eurjchem-2484	214	70	-	-	PUNCT
eurjchem-2484	214	71	ca	ca	NOUN
eurjchem-2484	214	72	)	)	PUNCT
eurjchem-2484	214	73	2590	2590	NUM
eurjchem-2484	214	74	νasnd2	νasnd2	NOUN
eurjchem-2484	214	75	2533	2533	NUM
eurjchem-2484	214	76	,	,	PUNCT
eurjchem-2484	214	77	2504	2504	NUM
eurjchem-2484	214	78	,	,	PUNCT
eurjchem-2484	214	79	2441	2441	NUM
eurjchem-2484	214	80	νsnd2	νsnd2	NOUN
eurjchem-2484	214	81	2323	2323	NUM
eurjchem-2484	214	82	to	to	ADP
eurjchem-2484	214	83	1867	1867	NUM
eurjchem-2484	214	84	ν(o	ν(o	PROPN
eurjchem-2484	214	85	-	-	PUNCT
eurjchem-2484	214	86	d	d	NOUN
eurjchem-2484	214	87	)	)	PUNCT
eurjchem-2484	214	88	2441	2441	NUM
eurjchem-2484	214	89	,	,	PUNCT
eurjchem-2484	214	90	2387	2387	NUM
eurjchem-2484	214	91	,	,	PUNCT
eurjchem-2484	214	92	2229	2229	NUM
eurjchem-2484	214	93	νasnd3	νasnd3	NOUN
eurjchem-2484	214	94	+	+	PROPN
eurjchem-2484	214	95	,	,	PUNCT
eurjchem-2484	214	96	νsnd3	νsnd3	ADP
eurjchem-2484	214	97	+	+	PROPN
eurjchem-2484	214	98	,	,	PUNCT
eurjchem-2484	214	99	ν(o	ν(o	PROPN
eurjchem-2484	214	100	-	-	PUNCT
eurjchem-2484	214	101	d	d	NOUN
eurjchem-2484	214	102	)	)	PUNCT
eurjchem-2484	214	103	2044	2044	NUM
eurjchem-2484	214	104	,	,	PUNCT
eurjchem-2484	214	105	1912	1912	NUM
eurjchem-2484	214	106	νsnd3	νsnd3	ADP
eurjchem-2484	214	107	+	+	CCONJ
eurjchem-2484	214	108	ν(o	ν(o	PROPN
eurjchem-2484	214	109	-	-	PUNCT
eurjchem-2484	214	110	d	d	NOUN
eurjchem-2484	214	111	)	)	PUNCT
eurjchem-2484	214	112	1897	1897	NUM
eurjchem-2484	214	113	1796	1796	NUM
eurjchem-2484	214	114	,	,	PUNCT
eurjchem-2484	214	115	1765	1765	NUM
eurjchem-2484	214	116	1661	1661	NUM
eurjchem-2484	214	117	1658	1658	NUM
eurjchem-2484	214	118	1658s	1658s	NUM
eurjchem-2484	214	119	1657s	1657s	NUM
eurjchem-2484	214	120	νc	νc	NOUN
eurjchem-2484	214	121	=	=	NOUN
eurjchem-2484	214	122	o	o	NOUN
eurjchem-2484	214	123	1731	1731	NUM
eurjchem-2484	214	124	1622	1622	NUM
eurjchem-2484	214	125	βasymnh2	βasymnh2	NOUN
eurjchem-2484	214	126	1597	1597	NUM
eurjchem-2484	214	127	1599	1599	NUM
eurjchem-2484	214	128	1612	1612	NUM
eurjchem-2484	214	129	m	m	PROPN
eurjchem-2484	214	130	1603	1603	NUM
eurjchem-2484	214	131	8a	8a	NUM
eurjchem-2484	214	132	(	(	PUNCT
eurjchem-2484	214	133	c	c	X
eurjchem-2484	214	134	-	-	PUNCT
eurjchem-2484	214	135	c	c	NOUN
eurjchem-2484	214	136	stretching	stretch	VERB
eurjchem-2484	214	137	vibration	vibration	NOUN
eurjchem-2484	214	138	)	)	PUNCT
eurjchem-2484	214	139	1693	1693	NUM
eurjchem-2484	214	140	1571	1571	NUM
eurjchem-2484	214	141	1570	1570	NUM
eurjchem-2484	214	142	1578	1578	NUM
eurjchem-2484	214	143	1568w	1568w	NOUN
eurjchem-2484	214	144	8b	8b	NUM
eurjchem-2484	214	145	(	(	PUNCT
eurjchem-2484	214	146	c	c	NOUN
eurjchem-2484	214	147	-	-	PUNCT
eurjchem-2484	214	148	c	c	NOUN
eurjchem-2484	214	149	stretching	stretch	VERB
eurjchem-2484	214	150	vibration	vibration	NOUN
eurjchem-2484	214	151	)	)	PUNCT
eurjchem-2484	214	152	1652	1652	NUM
eurjchem-2484	214	153	1557	1557	NUM
eurjchem-2484	214	154	m	m	NOUN
eurjchem-2484	214	155	βasymnh3	βasymnh3	NOUN
eurjchem-2484	214	156	+	+	X
eurjchem-2484	214	157	1693	1693	NUM
eurjchem-2484	214	158	,	,	PUNCT
eurjchem-2484	214	159	1652	1652	NUM
eurjchem-2484	214	160	1520	1520	NUM
eurjchem-2484	214	161	1521	1521	NUM
eurjchem-2484	214	162	1512	1512	NUM
eurjchem-2484	214	163	m	m	PROPN
eurjchem-2484	214	164	1516w	1516w	PROPN
eurjchem-2484	214	165	19a	19a	X
eurjchem-2484	214	166	(	(	PUNCT
eurjchem-2484	214	167	c	c	X
eurjchem-2484	214	168	-	-	PUNCT
eurjchem-2484	214	169	c	c	NOUN
eurjchem-2484	214	170	stretching	stretch	VERB
eurjchem-2484	214	171	vibration	vibration	NOUN
eurjchem-2484	214	172	)	)	PUNCT
eurjchem-2484	214	173	1645	1645	NUM
eurjchem-2484	214	174	1441	1441	NUM
eurjchem-2484	214	175	1435	1435	NUM
eurjchem-2484	214	176	1452	1452	NUM
eurjchem-2484	214	177	m	m	PROPN
eurjchem-2484	214	178	1432	1432	NUM
eurjchem-2484	214	179	19b	19b	NOUN
eurjchem-2484	214	180	(	(	PUNCT
eurjchem-2484	214	181	c	c	X
eurjchem-2484	214	182	-	-	PUNCT
eurjchem-2484	214	183	c	c	NOUN
eurjchem-2484	214	184	stretching	stretch	VERB
eurjchem-2484	214	185	vibration	vibration	NOUN
eurjchem-2484	214	186	)	)	PUNCT
eurjchem-2484	214	187	1570	1570	NUM
eurjchem-2484	214	188	1419	1419	NUM
eurjchem-2484	214	189	1420	1420	NUM
eurjchem-2484	214	190	1426	1426	NUM
eurjchem-2484	214	191	m	m	PROPN
eurjchem-2484	214	192	1422	1422	NUM
eurjchem-2484	214	193	9b	9b	NOUN
eurjchem-2484	214	194	(	(	PUNCT
eurjchem-2484	214	195	c	c	NOUN
eurjchem-2484	214	196	-	-	PUNCT
eurjchem-2484	214	197	h	h	NOUN
eurjchem-2484	214	198	in	in	ADP
eurjchem-2484	214	199	-	-	PUNCT
eurjchem-2484	214	200	plane	plane	NOUN
eurjchem-2484	214	201	bending	bend	VERB
eurjchem-2484	214	202	vibration	vibration	NOUN
eurjchem-2484	214	203	)	)	PUNCT
eurjchem-2484	214	204	1485	1485	NUM
eurjchem-2484	214	205	1419	1419	NUM
eurjchem-2484	214	206	-	-	SYM
eurjchem-2484	214	207	1395	1395	NUM
eurjchem-2484	214	208	1419	1419	NUM
eurjchem-2484	214	209	-	-	SYM
eurjchem-2484	214	210	1395	1395	NUM
eurjchem-2484	214	211	βoh	βoh	PROPN
eurjchem-2484	214	212	1390	1390	NUM
eurjchem-2484	214	213	(	(	PUNCT
eurjchem-2484	214	214	-4ca	-4ca	NOUN
eurjchem-2484	214	215	)	)	PUNCT
eurjchem-2484	214	216	1364	1364	NUM
eurjchem-2484	214	217	βasymnd2	βasymnd2	NOUN
eurjchem-2484	214	218	1369	1369	NUM
eurjchem-2484	214	219	βasymnd3	βasymnd3	NOUN
eurjchem-2484	214	220	+	+	CCONJ
eurjchem-2484	214	221	1311	1311	NUM
eurjchem-2484	214	222	1312	1312	NUM
eurjchem-2484	214	223	1321	1321	NUM
eurjchem-2484	214	224	m	m	NOUN
eurjchem-2484	214	225	1327w	1327w	NUM
eurjchem-2484	214	226	14	14	NUM
eurjchem-2484	214	227	(	(	PUNCT
eurjchem-2484	214	228	c	c	X
eurjchem-2484	214	229	-	-	PUNCT
eurjchem-2484	214	230	c	c	NOUN
eurjchem-2484	214	231	stretching	stretch	VERB
eurjchem-2484	214	232	vibration	vibration	NOUN
eurjchem-2484	214	233	)	)	PUNCT
eurjchem-2484	214	234	1269	1269	NUM
eurjchem-2484	214	235	1286	1286	NUM
eurjchem-2484	214	236	1288	1288	NUM
eurjchem-2484	214	237	1299	1299	NUM
eurjchem-2484	214	238	m	m	PROPN
eurjchem-2484	214	239	1293	1293	NUM
eurjchem-2484	214	240	m	m	NOUN
eurjchem-2484	214	241	νc	νc	NOUN
eurjchem-2484	214	242	-	-	PUNCT
eurjchem-2484	214	243	oh	oh	INTJ
eurjchem-2484	214	244	/	/	SYM
eurjchem-2484	214	245	14	14	NUM
eurjchem-2484	214	246	,	,	PUNCT
eurjchem-2484	214	247	βod	βod	NOUN
eurjchem-2484	214	248	1199	1199	NUM
eurjchem-2484	214	249	1212	1212	NUM
eurjchem-2484	214	250	1215	1215	NUM
eurjchem-2484	214	251	δs(pohh	δs(pohh	PROPN
eurjchem-2484	214	252	)	)	PUNCT
eurjchem-2484	214	253	,	,	PUNCT
eurjchem-2484	214	254	δas(pohh	δas(pohh	ADJ
eurjchem-2484	214	255	)	)	PUNCT
eurjchem-2484	214	256	1172,1146	1172,1146	NUM
eurjchem-2484	214	257	,	,	PUNCT
eurjchem-2484	214	258	1109	1109	NUM
eurjchem-2484	214	259	1171	1171	NUM
eurjchem-2484	214	260	1175	1175	NUM
eurjchem-2484	214	261	1189	1189	NUM
eurjchem-2484	214	262	m	m	NUM
eurjchem-2484	214	263	1175	1175	NUM
eurjchem-2484	214	264	9a	9a	NOUN
eurjchem-2484	214	265	(	(	PUNCT
eurjchem-2484	214	266	c	c	X
eurjchem-2484	214	267	-	-	PUNCT
eurjchem-2484	214	268	h	h	NOUN
eurjchem-2484	214	269	in	in	ADP
eurjchem-2484	214	270	-	-	PUNCT
eurjchem-2484	214	271	plane	plane	NOUN
eurjchem-2484	214	272	bending	bend	VERB
eurjchem-2484	214	273	vibration	vibration	NOUN
eurjchem-2484	214	274	)	)	PUNCT
eurjchem-2484	214	275	1186	1186	NUM
eurjchem-2484	214	276	1128	1128	NUM
eurjchem-2484	214	277	1125	1125	NUM
eurjchem-2484	214	278	1132	1132	NUM
eurjchem-2484	214	279	m	m	NOUN
eurjchem-2484	214	280	1125	1125	NUM
eurjchem-2484	214	281	m	m	NOUN
eurjchem-2484	214	282	7a/9a	7a/9a	NUM
eurjchem-2484	214	283	(	(	PUNCT
eurjchem-2484	214	284	c	c	X
eurjchem-2484	214	285	-	-	PUNCT
eurjchem-2484	214	286	h	h	NOUN
eurjchem-2484	214	287	stretching	stretch	VERB
eurjchem-2484	214	288	vibration	vibration	NOUN
eurjchem-2484	214	289	)	)	PUNCT
eurjchem-2484	214	290	1057	1057	NUM
eurjchem-2484	214	291	,	,	PUNCT
eurjchem-2484	214	292	1085	1085	NUM
eurjchem-2484	214	293	1093	1093	NUM
eurjchem-2484	214	294	m	m	PROPN
eurjchem-2484	214	295	,	,	PUNCT
eurjchem-2484	214	296	1019	1019	NUM
eurjchem-2484	214	297	m	m	NOUN
eurjchem-2484	214	298	1059	1059	NUM
eurjchem-2484	214	299	,	,	PUNCT
eurjchem-2484	214	300	1043s	1043s	NUM
eurjchem-2484	214	301	νas(po	νas(po	VERB
eurjchem-2484	214	302	)	)	PUNCT
eurjchem-2484	214	303	,	,	PUNCT
eurjchem-2484	214	304	νs(po	νs(po	PROPN
eurjchem-2484	214	305	)	)	PUNCT
eurjchem-2484	214	306	,	,	PUNCT
eurjchem-2484	215	1	βsymnh3	βsymnh3	PROPN
eurjchem-2484	215	2	+	+	ADJ
eurjchem-2484	215	3	,	,	PUNCT
eurjchem-2484	215	4	νc	νc	NOUN
eurjchem-2484	215	5	-	-	PUNCT
eurjchem-2484	215	6	od	od	NOUN
eurjchem-2484	215	7	,	,	PUNCT
eurjchem-2484	215	8	βoh	βoh	PROPN
eurjchem-2484	215	9	/	/	SYM
eurjchem-2484	215	10	γoh	γoh	PROPN
eurjchem-2484	215	11	1109	1109	NUM
eurjchem-2484	215	12	,	,	PUNCT
eurjchem-2484	215	13	1146	1146	NUM
eurjchem-2484	215	14	,	,	PUNCT
eurjchem-2484	215	15	1172	1172	NUM
eurjchem-2484	215	16	999	999	NUM
eurjchem-2484	215	17	s	s	NOUN
eurjchem-2484	215	18	,	,	PUNCT
eurjchem-2484	215	19	958	958	NUM
eurjchem-2484	215	20	s	s	PART
eurjchem-2484	215	21	1015s	1015s	NUM
eurjchem-2484	215	22	,	,	PUNCT
eurjchem-2484	215	23	962	962	NUM
eurjchem-2484	215	24	νas(poh	νas(poh	NOUN
eurjchem-2484	215	25	)	)	PUNCT
eurjchem-2484	215	26	,	,	PUNCT
eurjchem-2484	215	27	νs(poh	νs(poh	ADJ
eurjchem-2484	215	28	)	)	PUNCT
eurjchem-2484	215	29	1012	1012	NUM
eurjchem-2484	215	30	,	,	PUNCT
eurjchem-2484	215	31	1026	1026	NUM
eurjchem-2484	215	32	1069	1069	NUM
eurjchem-2484	215	33	βsymnh2	βsymnh2	NOUN
eurjchem-2484	215	34	1043	1043	NUM
eurjchem-2484	215	35	,	,	PUNCT
eurjchem-2484	215	36	1061	1061	NUM
eurjchem-2484	215	37	νc	νc	NOUN
eurjchem-2484	215	38	-	-	PUNCT
eurjchem-2484	215	39	od	od	NUM
eurjchem-2484	215	40	962w	962w	NOUN
eurjchem-2484	215	41	963w	963w	NUM
eurjchem-2484	215	42	17a	17a	X
eurjchem-2484	215	43	(	(	PUNCT
eurjchem-2484	215	44	c	c	X
eurjchem-2484	215	45	-	-	PUNCT
eurjchem-2484	215	46	h	h	NOUN
eurjchem-2484	215	47	out	out	ADP
eurjchem-2484	215	48	-	-	PUNCT
eurjchem-2484	215	49	of	of	ADP
eurjchem-2484	215	50	-	-	PUNCT
eurjchem-2484	215	51	plane	plane	NOUN
eurjchem-2484	215	52	vibration	vibration	NOUN
eurjchem-2484	215	53	)	)	PUNCT
eurjchem-2484	215	54	898	898	NUM
eurjchem-2484	215	55	922	922	NUM
eurjchem-2484	215	56	γoh	γoh	NOUN
eurjchem-2484	215	57	677	677	NUM
eurjchem-2484	215	58	889	889	NUM
eurjchem-2484	215	59	888	888	NUM
eurjchem-2484	215	60	887	887	NUM
eurjchem-2484	215	61	899	899	NUM
eurjchem-2484	215	62	5/	5/	NUM
eurjchem-2484	215	63	νc	νc	NOUN
eurjchem-2484	215	64	=	=	NOUN
eurjchem-2484	215	65	o	o	NOUN
eurjchem-2484	215	66	879	879	NUM
eurjchem-2484	215	67	841	841	NUM
eurjchem-2484	215	68	m	m	NUM
eurjchem-2484	215	69	842	842	NUM
eurjchem-2484	215	70	m	m	PROPN
eurjchem-2484	215	71	852v	852v	NUM
eurjchem-2484	215	72	844	844	NUM
eurjchem-2484	215	73	17b	17b	NOUN
eurjchem-2484	215	74	(	(	PUNCT
eurjchem-2484	215	75	c	c	NOUN
eurjchem-2484	215	76	-	-	PUNCT
eurjchem-2484	215	77	h	h	NOUN
eurjchem-2484	215	78	out	out	ADP
eurjchem-2484	215	79	-	-	PUNCT
eurjchem-2484	215	80	of	of	ADP
eurjchem-2484	215	81	-	-	PUNCT
eurjchem-2484	215	82	plane	plane	NOUN
eurjchem-2484	215	83	vibration	vibration	NOUN
eurjchem-2484	215	84	)	)	PUNCT
eurjchem-2484	215	85	876	876	NUM
eurjchem-2484	215	86	817	817	NUM
eurjchem-2484	215	87	817	817	NUM
eurjchem-2484	215	88	839	839	NUM
eurjchem-2484	215	89	m	m	NUM
eurjchem-2484	215	90	844	844	NUM
eurjchem-2484	215	91	10a	10a	NOUN
eurjchem-2484	215	92	(	(	PUNCT
eurjchem-2484	215	93	c	c	NOUN
eurjchem-2484	215	94	-	-	PUNCT
eurjchem-2484	215	95	h	h	NOUN
eurjchem-2484	215	96	out	out	ADP
eurjchem-2484	215	97	-	-	PUNCT
eurjchem-2484	215	98	of	of	ADP
eurjchem-2484	215	99	-	-	PUNCT
eurjchem-2484	215	100	plane	plane	NOUN
eurjchem-2484	215	101	vibration	vibration	NOUN
eurjchem-2484	215	102	)	)	PUNCT
eurjchem-2484	215	103	862	862	NUM
eurjchem-2484	215	104	βsymnd3	βsymnd3	NOUN
eurjchem-2484	215	105	+	+	X
eurjchem-2484	215	106	771	771	NUM
eurjchem-2484	215	107	771	771	NUM
eurjchem-2484	215	108	760	760	NUM
eurjchem-2484	215	109	m	m	NOUN
eurjchem-2484	215	110	772	772	NUM
eurjchem-2484	215	111	m	m	VERB
eurjchem-2484	215	112	1	1	NUM
eurjchem-2484	215	113	(	(	PUNCT
eurjchem-2484	215	114	radial	radial	ADJ
eurjchem-2484	215	115	skeletal	skeletal	ADJ
eurjchem-2484	215	116	vibration	vibration	NOUN
eurjchem-2484	215	117	)	)	PUNCT
eurjchem-2484	215	118	845	845	NUM
eurjchem-2484	215	119	746	746	NUM
eurjchem-2484	215	120	752	752	NUM
eurjchem-2484	215	121	γod	γod	ADP
eurjchem-2484	215	122	698	698	NUM
eurjchem-2484	215	123	700	700	NUM
eurjchem-2484	215	124	687	687	NUM
eurjchem-2484	215	125	,	,	PUNCT
eurjchem-2484	215	126	670	670	NUM
eurjchem-2484	215	127	724	724	NUM
eurjchem-2484	215	128	,	,	PUNCT
eurjchem-2484	215	129	701	701	NUM
eurjchem-2484	215	130	4	4	NUM
eurjchem-2484	215	131	(	(	PUNCT
eurjchem-2484	215	132	γ	γ	X
eurjchem-2484	215	133	skeletal	skeletal	ADJ
eurjchem-2484	215	134	vibration	vibration	NOUN
eurjchem-2484	215	135	)	)	PUNCT
eurjchem-2484	215	136	,	,	PUNCT
eurjchem-2484	215	137	ρ(po2	ρ(po2	X
eurjchem-2484	215	138	)	)	PUNCT
eurjchem-2484	215	139	782	782	NUM
eurjchem-2484	215	140	,	,	PUNCT
eurjchem-2484	215	141	735	735	NUM
eurjchem-2484	215	142	,	,	PUNCT
eurjchem-2484	215	143	725	725	NUM
eurjchem-2484	215	144	(	(	PUNCT
eurjchem-2484	215	145	po	po	NOUN
eurjchem-2484	215	146	)	)	PUNCT
eurjchem-2484	215	147	*	*	PUNCT
eurjchem-2484	216	1	ν	ν	X
eurjchem-2484	216	2	,	,	PUNCT
eurjchem-2484	216	3	stretching	stretching	NOUN
eurjchem-2484	216	4	;	;	PUNCT
eurjchem-2484	216	5	β	β	X
eurjchem-2484	216	6	,	,	PUNCT
eurjchem-2484	216	7	in	in	ADP
eurjchem-2484	216	8	plane	plane	NOUN
eurjchem-2484	216	9	;	;	PUNCT
eurjchem-2484	216	10	γ	γ	X
eurjchem-2484	216	11	,	,	PUNCT
eurjchem-2484	216	12	out	out	ADP
eurjchem-2484	216	13	of	of	ADP
eurjchem-2484	216	14	plane	plane	NOUN
eurjchem-2484	216	15	deformations	deformation	NOUN
eurjchem-2484	216	16	;	;	PUNCT
eurjchem-2484	216	17	ρ	ρ	NUM
eurjchem-2484	216	18	,	,	PUNCT
eurjchem-2484	216	19	rocking	rock	VERB
eurjchem-2484	216	20	;	;	PUNCT
eurjchem-2484	216	21	τ	τ	X
eurjchem-2484	216	22	,	,	PUNCT
eurjchem-2484	216	23	twisting	twisting	NOUN
eurjchem-2484	216	24	;	;	PUNCT
eurjchem-2484	216	25	δ	δ	PROPN
eurjchem-2484	216	26	,	,	PUNCT
eurjchem-2484	216	27	scissoring	scissoring	NOUN
eurjchem-2484	216	28	;	;	PUNCT
eurjchem-2484	216	29	s	s	X
eurjchem-2484	216	30	,	,	PUNCT
eurjchem-2484	216	31	strong	strong	ADJ
eurjchem-2484	216	32	;	;	PUNCT
eurjchem-2484	216	33	m	m	NOUN
eurjchem-2484	216	34	,	,	PUNCT
eurjchem-2484	216	35	medium	medium	ADJ
eurjchem-2484	216	36	;	;	PUNCT
eurjchem-2484	216	37	w	w	ADJ
eurjchem-2484	216	38	,	,	PUNCT
eurjchem-2484	216	39	weak	weak	ADJ
eurjchem-2484	216	40	.	.	PUNCT
eurjchem-2484	217	1	figure	figure	NOUN
eurjchem-2484	217	2	6	6	NUM
eurjchem-2484	217	3	.	.	PUNCT
eurjchem-2484	217	4	ftir	ftir	PROPN
eurjchem-2484	217	5	spectra	spectra	PROPN
eurjchem-2484	217	6	at	at	ADP
eurjchem-2484	217	7	298	298	NUM
eurjchem-2484	217	8	k	k	NOUN
eurjchem-2484	217	9	of	of	ADP
eurjchem-2484	217	10	(	(	PUNCT
eurjchem-2484	217	11	a	a	PRON
eurjchem-2484	217	12	)	)	PUNCT
eurjchem-2484	217	13	4	4	NUM
eurjchem-2484	217	14	-	-	PUNCT
eurjchem-2484	217	15	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	217	16	,	,	PUNCT
eurjchem-2484	217	17	(	(	PUNCT
eurjchem-2484	217	18	b	b	X
eurjchem-2484	217	19	)	)	PUNCT
eurjchem-2484	217	20	d4	d4	PROPN
eurjchem-2484	217	21	-	-	PUNCT
eurjchem-2484	217	22	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	217	23	,	,	PUNCT
eurjchem-2484	217	24	(	(	PUNCT
eurjchem-2484	217	25	c	c	NOUN
eurjchem-2484	217	26	)	)	PUNCT
eurjchem-2484	217	27	4	4	NUM
eurjchem-2484	217	28	-	-	NUM
eurjchem-2484	217	29	aba	aba	PRON
eurjchem-2484	217	30	and	and	CCONJ
eurjchem-2484	217	31	(	(	PUNCT
eurjchem-2484	217	32	d	d	NOUN
eurjchem-2484	217	33	)	)	PUNCT
eurjchem-2484	217	34	d4	d4	PROPN
eurjchem-2484	217	35	-	-	PUNCT
eurjchem-2484	217	36	aba	aba	PROPN
eurjchem-2484	217	37	in	in	ADP
eurjchem-2484	217	38	1800	1800	NUM
eurjchem-2484	217	39	-	-	SYM
eurjchem-2484	217	40	650	650	NUM
eurjchem-2484	217	41	cm-1	cm-1	NOUN
eurjchem-2484	217	42	.	.	PUNCT
eurjchem-2484	218	1	the	the	DET
eurjchem-2484	218	2	ftir	ftir	PROPN
eurjchem-2484	218	3	spectra	spectra	PROPN
eurjchem-2484	218	4	of	of	ADP
eurjchem-2484	218	5	4	4	NUM
eurjchem-2484	218	6	-	-	PUNCT
eurjchem-2484	218	7	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	218	8	exhibit	exhibit	NOUN
eurjchem-2484	218	9	bands	band	NOUN
eurjchem-2484	218	10	corresponding	correspond	VERB
eurjchem-2484	218	11	to	to	ADP
eurjchem-2484	218	12	the	the	DET
eurjchem-2484	218	13	vibration	vibration	NOUN
eurjchem-2484	218	14	modes	mode	NOUN
eurjchem-2484	218	15	of	of	ADP
eurjchem-2484	218	16	the	the	DET
eurjchem-2484	218	17	organic	organic	ADJ
eurjchem-2484	218	18	molecule	molecule	NOUN
eurjchem-2484	218	19	4	4	NUM
eurjchem-2484	218	20	-	-	PUNCT
eurjchem-2484	218	21	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	218	22	(	(	PUNCT
eurjchem-2484	218	23	4	4	NUM
eurjchem-2484	218	24	-	-	PUNCT
eurjchem-2484	218	25	ca+	ca+	NOUN
eurjchem-2484	218	26	)	)	PUNCT
eurjchem-2484	218	27	and	and	CCONJ
eurjchem-2484	218	28	the	the	DET
eurjchem-2484	218	29	dihydrogen	dihydrogen	NOUN
eurjchem-2484	218	30	phosphate	phosphate	NOUN
eurjchem-2484	218	31	(	(	PUNCT
eurjchem-2484	218	32	h2po4-	h2po4-	NOUN
eurjchem-2484	218	33	)	)	PUNCT
eurjchem-2484	218	34	group	group	NOUN
eurjchem-2484	218	35	.	.	PUNCT
eurjchem-2484	219	1	in	in	ADP
eurjchem-2484	219	2	4	4	NUM
eurjchem-2484	219	3	-	-	PUNCT
eurjchem-2484	219	4	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	219	5	,	,	PUNCT
eurjchem-2484	219	6	the	the	DET
eurjchem-2484	219	7	asymmetrical	asymmetrical	ADJ
eurjchem-2484	219	8	(	(	PUNCT
eurjchem-2484	219	9	νasym	νasym	NOUN
eurjchem-2484	219	10	)	)	PUNCT
eurjchem-2484	219	11	and	and	CCONJ
eurjchem-2484	219	12	symmetrical	symmetrical	ADJ
eurjchem-2484	219	13	(	(	PUNCT
eurjchem-2484	219	14	νsym	νsym	NOUN
eurjchem-2484	219	15	)	)	PUNCT
eurjchem-2484	219	16	stretching	stretch	VERB
eurjchem-2484	219	17	vibration	vibration	NOUN
eurjchem-2484	219	18	bands	band	NOUN
eurjchem-2484	219	19	of	of	ADP
eurjchem-2484	219	20	the	the	DET
eurjchem-2484	219	21	n	n	CCONJ
eurjchem-2484	219	22	-	-	PUNCT
eurjchem-2484	219	23	h	h	NOUN
eurjchem-2484	219	24	bonds	bond	NOUN
eurjchem-2484	219	25	(	(	PUNCT
eurjchem-2484	219	26	of	of	ADP
eurjchem-2484	219	27	the	the	DET
eurjchem-2484	219	28	-nh3	-nh3	NOUN
eurjchem-2484	219	29	+	+	NUM
eurjchem-2484	219	30	group	group	NOUN
eurjchem-2484	219	31	)	)	PUNCT
eurjchem-2484	219	32	are	be	AUX
eurjchem-2484	219	33	observed	observe	VERB
eurjchem-2484	219	34	as	as	ADP
eurjchem-2484	219	35	a	a	DET
eurjchem-2484	219	36	broad	broad	ADJ
eurjchem-2484	219	37	band	band	NOUN
eurjchem-2484	219	38	with	with	ADP
eurjchem-2484	219	39	multiple	multiple	ADJ
eurjchem-2484	219	40	peaks	peak	NOUN
eurjchem-2484	219	41	in	in	ADP
eurjchem-2484	219	42	3226	3226	NUM
eurjchem-2484	219	43	to	to	ADP
eurjchem-2484	219	44	2628	2628	NUM
eurjchem-2484	219	45	cm-1	cm-1	NOUN
eurjchem-2484	219	46	.	.	PUNCT
eurjchem-2484	220	1	the	the	DET
eurjchem-2484	220	2	broadened	broaden	VERB
eurjchem-2484	220	3	and	and	CCONJ
eurjchem-2484	220	4	decreased	decrease	VERB
eurjchem-2484	220	5	values	value	NOUN
eurjchem-2484	220	6	of	of	ADP
eurjchem-2484	220	7	the	the	DET
eurjchem-2484	220	8	n	n	CCONJ
eurjchem-2484	220	9	-	-	PUNCT
eurjchem-2484	220	10	h	h	NOUN
eurjchem-2484	220	11	stretching	stretch	VERB
eurjchem-2484	220	12	frequency	frequency	NOUN
eurjchem-2484	220	13	suggest	suggest	VERB
eurjchem-2484	220	14	the	the	DET
eurjchem-2484	220	15	presence	presence	NOUN
eurjchem-2484	220	16	of	of	ADP
eurjchem-2484	220	17	a	a	DET
eurjchem-2484	220	18	very	very	ADV
eurjchem-2484	220	19	strong	strong	ADJ
eurjchem-2484	220	20	n	n	CCONJ
eurjchem-2484	220	21	-	-	PUNCT
eurjchem-2484	220	22	h	h	NOUN
eurjchem-2484	220	23	…	…	PROPN
eurjchem-2484	220	24	o	o	NOUN
eurjchem-2484	220	25	hydrogen	hydrogen	NOUN
eurjchem-2484	220	26	bond	bond	NOUN
eurjchem-2484	220	27	in	in	ADP
eurjchem-2484	220	28	4	4	NUM
eurjchem-2484	220	29	-	-	PUNCT
eurjchem-2484	220	30	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	220	31	than	than	ADP
eurjchem-2484	220	32	in	in	ADP
eurjchem-2484	220	33	4	4	NUM
eurjchem-2484	220	34	-	-	NUM
eurjchem-2484	220	35	aba	aba	NOUN
eurjchem-2484	220	36	(	(	PUNCT
eurjchem-2484	220	37	table	table	NOUN
eurjchem-2484	220	38	5	5	NUM
eurjchem-2484	220	39	)	)	PUNCT
eurjchem-2484	220	40	.	.	PUNCT
eurjchem-2484	221	1	from	from	ADP
eurjchem-2484	221	2	the	the	DET
eurjchem-2484	221	3	crystallographic	crystallographic	ADJ
eurjchem-2484	221	4	data	datum	NOUN
eurjchem-2484	221	5	,	,	PUNCT
eurjchem-2484	221	6	it	it	PRON
eurjchem-2484	221	7	is	be	AUX
eurjchem-2484	221	8	seen	see	VERB
eurjchem-2484	221	9	that	that	SCONJ
eurjchem-2484	221	10	in	in	ADP
eurjchem-2484	221	11	4	4	NUM
eurjchem-2484	221	12	-	-	NUM
eurjchem-2484	221	13	aba	aba	PRON
eurjchem-2484	221	14	the	the	DET
eurjchem-2484	221	15	-nh2	-nh2	PROPN
eurjchem-2484	221	16	group	group	NOUN
eurjchem-2484	221	17	forms	form	VERB
eurjchem-2484	221	18	a	a	DET
eurjchem-2484	221	19	weak	weak	ADJ
eurjchem-2484	221	20	hydrogen	hydrogen	NOUN
eurjchem-2484	221	21	bond	bond	NOUN
eurjchem-2484	221	22	with	with	ADP
eurjchem-2484	221	23	the	the	DET
eurjchem-2484	221	24	c	c	PROPN
eurjchem-2484	221	25	=	=	PROPN
eurjchem-2484	221	26	o	o	NOUN
eurjchem-2484	221	27	group	group	NOUN
eurjchem-2484	221	28	,	,	PUNCT
eurjchem-2484	221	29	while	while	SCONJ
eurjchem-2484	221	30	in	in	ADP
eurjchem-2484	221	31	4	4	NUM
eurjchem-2484	221	32	-	-	PUNCT
eurjchem-2484	221	33	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	221	34	the	the	DET
eurjchem-2484	221	35	-nh3	-nh3	NOUN
eurjchem-2484	221	36	+	+	NOUN
eurjchem-2484	221	37	group	group	NOUN
eurjchem-2484	221	38	forms	form	VERB
eurjchem-2484	221	39	a	a	DET
eurjchem-2484	221	40	strong	strong	ADJ
eurjchem-2484	221	41	hydrogen	hydrogen	NOUN
eurjchem-2484	221	42	bond	bond	NOUN
eurjchem-2484	221	43	with	with	ADP
eurjchem-2484	221	44	the	the	DET
eurjchem-2484	221	45	p	p	PROPN
eurjchem-2484	221	46	=	=	NOUN
eurjchem-2484	221	47	o	o	NOUN
eurjchem-2484	221	48	groups	group	NOUN
eurjchem-2484	221	49	and	and	CCONJ
eurjchem-2484	221	50	water	water	NOUN
eurjchem-2484	221	51	molecules	molecule	NOUN
eurjchem-2484	221	52	.	.	PUNCT
eurjchem-2484	222	1	on	on	ADP
eurjchem-2484	222	2	deuteration	deuteration	NOUN
eurjchem-2484	222	3	,	,	PUNCT
eurjchem-2484	222	4	the	the	DET
eurjchem-2484	222	5	n	n	CCONJ
eurjchem-2484	222	6	-	-	PUNCT
eurjchem-2484	222	7	h	h	NOUN
eurjchem-2484	222	8	stretch	stretch	NOUN
eurjchem-2484	222	9	bands	band	NOUN
eurjchem-2484	222	10	of	of	ADP
eurjchem-2484	222	11	4	4	NUM
eurjchem-2484	222	12	-	-	NUM
eurjchem-2484	222	13	aba	aba	NOUN
eurjchem-2484	222	14	and	and	CCONJ
eurjchem-2484	222	15	4	4	NUM
eurjchem-2484	222	16	-	-	PUNCT
eurjchem-2484	222	17	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	222	18	,	,	PUNCT
eurjchem-2484	222	19	respectively	respectively	ADV
eurjchem-2484	222	20	,	,	PUNCT
eurjchem-2484	222	21	shift	shift	NOUN
eurjchem-2484	222	22	in	in	ADP
eurjchem-2484	222	23	the	the	DET
eurjchem-2484	222	24	region	region	NOUN
eurjchem-2484	222	25	2044	2044	NUM
eurjchem-2484	222	26	-	-	SYM
eurjchem-2484	222	27	2590	2590	NUM
eurjchem-2484	222	28	cm-1	cm-1	NOUN
eurjchem-2484	222	29	,	,	PUNCT
eurjchem-2484	222	30	which	which	PRON
eurjchem-2484	222	31	corresponds	correspond	VERB
eurjchem-2484	222	32	to	to	ADP
eurjchem-2484	222	33	the	the	DET
eurjchem-2484	222	34	n	n	CCONJ
eurjchem-2484	222	35	-	-	PUNCT
eurjchem-2484	222	36	d	d	NOUN
eurjchem-2484	222	37	stretching	stretch	VERB
eurjchem-2484	222	38	band	band	NOUN
eurjchem-2484	222	39	(	(	PUNCT
eurjchem-2484	222	40	table	table	NOUN
eurjchem-2484	222	41	5	5	NUM
eurjchem-2484	222	42	)	)	PUNCT
eurjchem-2484	222	43	.	.	PUNCT
eurjchem-2484	223	1	the	the	DET
eurjchem-2484	223	2	broad	broad	ADJ
eurjchem-2484	223	3	band	band	NOUN
eurjchem-2484	223	4	observed	observe	VERB
eurjchem-2484	223	5	in	in	ADP
eurjchem-2484	223	6	the	the	DET
eurjchem-2484	223	7	region	region	NOUN
eurjchem-2484	223	8	3100	3100	NUM
eurjchem-2484	223	9	to	to	ADP
eurjchem-2484	223	10	2500	2500	NUM
eurjchem-2484	223	11	cm-1	cm-1	VERB
eurjchem-2484	223	12	is	be	AUX
eurjchem-2484	223	13	assigned	assign	VERB
eurjchem-2484	223	14	to	to	ADP
eurjchem-2484	223	15	the	the	DET
eurjchem-2484	223	16	symmetric	symmetric	ADJ
eurjchem-2484	223	17	stretching	stretch	VERB
eurjchem-2484	223	18	vibration	vibration	NOUN
eurjchem-2484	223	19	bands	band	NOUN
eurjchem-2484	223	20	of	of	ADP
eurjchem-2484	223	21	the	the	DET
eurjchem-2484	223	22	oh	oh	PROPN
eurjchem-2484	223	23	bonds	bond	NOUN
eurjchem-2484	223	24	.	.	PUNCT
eurjchem-2484	224	1	in	in	ADP
eurjchem-2484	224	2	4	4	NUM
eurjchem-2484	224	3	-	-	PUNCT
eurjchem-2484	224	4	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	224	5	the	the	DET
eurjchem-2484	224	6	c	c	NOUN
eurjchem-2484	224	7	=	=	NOUN
eurjchem-2484	224	8	o	o	NOUN
eurjchem-2484	224	9	band	band	NOUN
eurjchem-2484	224	10	is	be	AUX
eurjchem-2484	224	11	observed	observe	VERB
eurjchem-2484	224	12	at	at	ADP
eurjchem-2484	224	13	higher	high	ADJ
eurjchem-2484	224	14	frequency	frequency	NOUN
eurjchem-2484	224	15	suggesting	suggest	VERB
eurjchem-2484	224	16	a	a	DET
eurjchem-2484	224	17	weak	weak	ADJ
eurjchem-2484	224	18	hydrogen	hydrogen	NOUN
eurjchem-2484	224	19	bond	bond	NOUN
eurjchem-2484	224	20	interaction	interaction	NOUN
eurjchem-2484	224	21	in	in	ADP
eurjchem-2484	224	22	4	4	NUM
eurjchem-2484	224	23	-	-	PUNCT
eurjchem-2484	224	24	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	224	25	as	as	ADP
eurjchem-2484	224	26	compared	compare	VERB
eurjchem-2484	224	27	to	to	ADP
eurjchem-2484	224	28	that	that	PRON
eurjchem-2484	224	29	in	in	ADP
eurjchem-2484	224	30	4	4	NUM
eurjchem-2484	224	31	-	-	NUM
eurjchem-2484	224	32	aba	aba	NOUN
eurjchem-2484	224	33	(	(	PUNCT
eurjchem-2484	224	34	table	table	NOUN
eurjchem-2484	224	35	5	5	NUM
eurjchem-2484	224	36	)	)	PUNCT
eurjchem-2484	224	37	.	.	PUNCT
eurjchem-2484	225	1	8	8	NUM
eurjchem-2484	225	2	lata	lata	PROPN
eurjchem-2484	225	3	panicker	panicker	PROPN
eurjchem-2484	225	4	/	/	SYM
eurjchem-2484	225	5	european	european	PROPN
eurjchem-2484	225	6	journal	journal	PROPN
eurjchem-2484	225	7	of	of	ADP
eurjchem-2484	225	8	chemistry	chemistry	NOUN
eurjchem-2484	225	9	15	15	NUM
eurjchem-2484	225	10	(	(	PUNCT
eurjchem-2484	225	11	1	1	NUM
eurjchem-2484	225	12	)	)	PUNCT
eurjchem-2484	225	13	(	(	PUNCT
eurjchem-2484	225	14	2024	2024	NUM
eurjchem-2484	225	15	)	)	PUNCT
eurjchem-2484	225	16	1	1	NUM
eurjchem-2484	225	17	-	-	SYM
eurjchem-2484	225	18	16	16	NUM
eurjchem-2484	225	19	2024	2024	NUM
eurjchem-2484	225	20	–	–	PUNCT
eurjchem-2484	225	21	european	european	ADJ
eurjchem-2484	225	22	journal	journal	NOUN
eurjchem-2484	225	23	of	of	ADP
eurjchem-2484	225	24	chemistry	chemistry	NOUN
eurjchem-2484	225	25	–	–	PUNCT
eurjchem-2484	225	26	cc	cc	NOUN
eurjchem-2484	225	27	by	by	ADP
eurjchem-2484	225	28	nc	nc	PROPN
eurjchem-2484	225	29	–	–	PUNCT
eurjchem-2484	225	30	doi	doi	PROPN
eurjchem-2484	225	31	:	:	PUNCT
eurjchem-2484	225	32	10.5155	10.5155	NUM
eurjchem-2484	225	33	/	/	SYM
eurjchem-2484	225	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	225	35	-	-	SYM
eurjchem-2484	225	36	16.2484	16.2484	NUM
eurjchem-2484	225	37	(	(	PUNCT
eurjchem-2484	225	38	a	a	NOUN
eurjchem-2484	225	39	)	)	PUNCT
eurjchem-2484	225	40	(	(	PUNCT
eurjchem-2484	225	41	b	b	X
eurjchem-2484	225	42	)	)	PUNCT
eurjchem-2484	225	43	figure	figure	NOUN
eurjchem-2484	225	44	7	7	NUM
eurjchem-2484	225	45	.	.	PUNCT
eurjchem-2484	225	46	unit	unit	NOUN
eurjchem-2484	225	47	cell	cell	NOUN
eurjchem-2484	225	48	representation	representation	NOUN
eurjchem-2484	225	49	of	of	ADP
eurjchem-2484	225	50	(	(	PUNCT
eurjchem-2484	225	51	a	a	X
eurjchem-2484	225	52	)	)	PUNCT
eurjchem-2484	225	53	4	4	NUM
eurjchem-2484	225	54	-	-	NUM
eurjchem-2484	225	55	aba	aba	PRON
eurjchem-2484	225	56	and	and	CCONJ
eurjchem-2484	225	57	(	(	PUNCT
eurjchem-2484	225	58	b	b	NOUN
eurjchem-2484	225	59	)	)	PUNCT
eurjchem-2484	225	60	4	4	NUM
eurjchem-2484	225	61	-	-	PUNCT
eurjchem-2484	225	62	cah2po4·h2o	cah2po4·h2o	PROPN
eurjchem-2484	225	63	.	.	PUNCT
eurjchem-2484	225	64	crystallographic	crystallographic	ADJ
eurjchem-2484	225	65	data	datum	NOUN
eurjchem-2484	225	66	reference	reference	NOUN
eurjchem-2484	225	67	numbers	number	NOUN
eurjchem-2484	225	68	ambnac09	ambnac09	NOUN
eurjchem-2484	225	69	for	for	ADP
eurjchem-2484	225	70	4	4	NUM
eurjchem-2484	225	71	-	-	NUM
eurjchem-2484	225	72	aba	aba	PROPN
eurjchem-2484	225	73	and	and	CCONJ
eurjchem-2484	225	74	ccdc	ccdc	PROPN
eurjchem-2484	225	75	deposition	deposition	NOUN
eurjchem-2484	225	76	number	number	NOUN
eurjchem-2484	225	77	2288228	2288228	NUM
eurjchem-2484	225	78	for	for	ADP
eurjchem-2484	225	79	4	4	NUM
eurjchem-2484	225	80	-	-	PUNCT
eurjchem-2484	225	81	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	225	82	.	.	PUNCT
eurjchem-2484	226	1	(	(	PUNCT
eurjchem-2484	226	2	a	a	X
eurjchem-2484	226	3	)	)	PUNCT
eurjchem-2484	226	4	(	(	PUNCT
eurjchem-2484	226	5	b	b	X
eurjchem-2484	226	6	)	)	PUNCT
eurjchem-2484	226	7	figure	figure	NOUN
eurjchem-2484	226	8	8	8	NUM
eurjchem-2484	226	9	.	.	PUNCT
eurjchem-2484	227	1	three	three	NUM
eurjchem-2484	227	2	-	-	PUNCT
eurjchem-2484	227	3	dimensional	dimensional	ADJ
eurjchem-2484	227	4	view	view	NOUN
eurjchem-2484	227	5	of	of	ADP
eurjchem-2484	227	6	hirshfeld	hirshfeld	ADJ
eurjchem-2484	227	7	surface	surface	NOUN
eurjchem-2484	227	8	in	in	ADP
eurjchem-2484	227	9	4	4	NUM
eurjchem-2484	227	10	-	-	PUNCT
eurjchem-2484	227	11	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	227	12	plotted	plot	VERB
eurjchem-2484	227	13	over	over	ADP
eurjchem-2484	227	14	dnorm	dnorm	NOUN
eurjchem-2484	227	15	in	in	ADP
eurjchem-2484	227	16	the	the	DET
eurjchem-2484	227	17	range	range	NOUN
eurjchem-2484	227	18	-0.801	-0.801	PUNCT
eurjchem-2484	227	19	to	to	ADP
eurjchem-2484	227	20	1.0648	1.0648	NUM
eurjchem-2484	227	21	a.u	a.u	NOUN
eurjchem-2484	227	22	.	.	PUNCT
eurjchem-2484	227	23	using	use	VERB
eurjchem-2484	227	24	one	one	NUM
eurjchem-2484	227	25	4	4	NUM
eurjchem-2484	227	26	-	-	PUNCT
eurjchem-2484	227	27	ca	ca	NOUN
eurjchem-2484	227	28	molecule	molecule	NOUN
eurjchem-2484	227	29	in	in	ADP
eurjchem-2484	227	30	an	an	DET
eurjchem-2484	227	31	asymmetric	asymmetric	ADJ
eurjchem-2484	227	32	unit	unit	NOUN
eurjchem-2484	227	33	.	.	PUNCT
eurjchem-2484	228	1	hs	hs	PROPN
eurjchem-2484	228	2	with	with	ADP
eurjchem-2484	228	3	hydrogen	hydrogen	NOUN
eurjchem-2484	228	4	bond	bond	NOUN
eurjchem-2484	228	5	interaction	interaction	NOUN
eurjchem-2484	228	6	within	within	ADP
eurjchem-2484	228	7	the	the	DET
eurjchem-2484	228	8	molecules	molecule	NOUN
eurjchem-2484	228	9	in	in	ADP
eurjchem-2484	228	10	(	(	PUNCT
eurjchem-2484	228	11	a	a	X
eurjchem-2484	228	12	)	)	PUNCT
eurjchem-2484	228	13	an	an	DET
eurjchem-2484	228	14	asymmetric	asymmetric	ADJ
eurjchem-2484	228	15	unit	unit	NOUN
eurjchem-2484	228	16	and	and	CCONJ
eurjchem-2484	228	17	(	(	PUNCT
eurjchem-2484	228	18	b	b	NOUN
eurjchem-2484	228	19	)	)	PUNCT
eurjchem-2484	228	20	in	in	ADP
eurjchem-2484	228	21	a	a	DET
eurjchem-2484	228	22	unit	unit	NOUN
eurjchem-2484	228	23	cell	cell	NOUN
eurjchem-2484	228	24	.	.	PUNCT
eurjchem-2484	229	1	the	the	DET
eurjchem-2484	229	2	bands	band	NOUN
eurjchem-2484	229	3	in	in	ADP
eurjchem-2484	229	4	650	650	NUM
eurjchem-2484	229	5	-	-	SYM
eurjchem-2484	229	6	1700	1700	NUM
eurjchem-2484	229	7	cm-1	cm-1	NOUN
eurjchem-2484	229	8	,	,	PUNCT
eurjchem-2484	229	9	whose	whose	DET
eurjchem-2484	229	10	frequencies	frequency	NOUN
eurjchem-2484	229	11	are	be	AUX
eurjchem-2484	229	12	not	not	PART
eurjchem-2484	229	13	affected	affect	VERB
eurjchem-2484	229	14	by	by	ADP
eurjchem-2484	229	15	deuteration	deuteration	NOUN
eurjchem-2484	229	16	,	,	PUNCT
eurjchem-2484	229	17	are	be	AUX
eurjchem-2484	229	18	assigned	assign	VERB
eurjchem-2484	229	19	to	to	ADP
eurjchem-2484	229	20	the	the	DET
eurjchem-2484	229	21	ring	ring	NOUN
eurjchem-2484	229	22	modes	mode	NOUN
eurjchem-2484	229	23	8a	8a	NUM
eurjchem-2484	229	24	,	,	PUNCT
eurjchem-2484	229	25	8b	8b	NUM
eurjchem-2484	229	26	,	,	PUNCT
eurjchem-2484	229	27	19a	19a	NUM
eurjchem-2484	229	28	,	,	PUNCT
eurjchem-2484	229	29	19b	19b	NOUN
eurjchem-2484	229	30	,	,	PUNCT
eurjchem-2484	229	31	9b	9b	NUM
eurjchem-2484	229	32	,	,	PUNCT
eurjchem-2484	229	33	14	14	NUM
eurjchem-2484	229	34	,	,	PUNCT
eurjchem-2484	229	35	9a	9a	NOUN
eurjchem-2484	229	36	,	,	PUNCT
eurjchem-2484	229	37	7a	7a	NUM
eurjchem-2484	229	38	,	,	PUNCT
eurjchem-2484	229	39	12	12	NUM
eurjchem-2484	229	40	,	,	PUNCT
eurjchem-2484	229	41	17a	17a	NUM
eurjchem-2484	229	42	,	,	PUNCT
eurjchem-2484	229	43	5	5	NUM
eurjchem-2484	229	44	,	,	PUNCT
eurjchem-2484	229	45	17b	17b	NUM
eurjchem-2484	229	46	,	,	PUNCT
eurjchem-2484	229	47	10a	10a	NOUN
eurjchem-2484	229	48	,	,	PUNCT
eurjchem-2484	229	49	1	1	NUM
eurjchem-2484	229	50	and	and	CCONJ
eurjchem-2484	229	51	4	4	NUM
eurjchem-2484	229	52	,	,	PUNCT
eurjchem-2484	229	53	respecttively	respecttively	ADV
eurjchem-2484	229	54	,	,	PUNCT
eurjchem-2484	229	55	consistent	consistent	ADJ
eurjchem-2484	229	56	with	with	ADP
eurjchem-2484	229	57	the	the	DET
eurjchem-2484	229	58	earlier	early	ADJ
eurjchem-2484	229	59	work	work	NOUN
eurjchem-2484	229	60	(	(	PUNCT
eurjchem-2484	229	61	table	table	NOUN
eurjchem-2484	229	62	5	5	NUM
eurjchem-2484	229	63	)	)	PUNCT
eurjchem-2484	230	1	[	[	X
eurjchem-2484	230	2	28	28	NUM
eurjchem-2484	230	3	-	-	SYM
eurjchem-2484	230	4	30	30	NUM
eurjchem-2484	230	5	]	]	PUNCT
eurjchem-2484	230	6	.	.	PUNCT
eurjchem-2484	231	1	the	the	DET
eurjchem-2484	231	2	band	band	NOUN
eurjchem-2484	231	3	at	at	ADP
eurjchem-2484	231	4	1557	1557	NUM
eurjchem-2484	231	5	cm-1	cm-1	VERB
eurjchem-2484	231	6	in	in	ADP
eurjchem-2484	231	7	4	4	NUM
eurjchem-2484	231	8	-	-	PUNCT
eurjchem-2484	231	9	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	231	10	,	,	PUNCT
eurjchem-2484	231	11	which	which	PRON
eurjchem-2484	231	12	shifts	shift	NOUN
eurjchem-2484	231	13	to	to	ADP
eurjchem-2484	231	14	a	a	DET
eurjchem-2484	231	15	lower	low	ADJ
eurjchem-2484	231	16	frequency	frequency	NOUN
eurjchem-2484	231	17	1369	1369	NUM
eurjchem-2484	231	18	cm-1	cm-1	NOUN
eurjchem-2484	231	19	on	on	ADP
eurjchem-2484	231	20	deuteration	deuteration	NOUN
eurjchem-2484	231	21	,	,	PUNCT
eurjchem-2484	231	22	is	be	AUX
eurjchem-2484	231	23	assigned	assign	VERB
eurjchem-2484	231	24	to	to	ADP
eurjchem-2484	231	25	βasymnh3	βasymnh3	NOUN
eurjchem-2484	231	26	+	+	PROPN
eurjchem-2484	231	27	.	.	PUNCT
eurjchem-2484	232	1	the	the	DET
eurjchem-2484	232	2	band	band	NOUN
eurjchem-2484	232	3	at	at	ADP
eurjchem-2484	232	4	1419	1419	NUM
eurjchem-2484	232	5	-	-	SYM
eurjchem-2484	232	6	1395	1395	NUM
eurjchem-2484	232	7	cm-1	cm-1	VERB
eurjchem-2484	232	8	in	in	ADP
eurjchem-2484	232	9	4	4	NUM
eurjchem-2484	232	10	-	-	PUNCT
eurjchem-2484	232	11	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	232	12	,	,	PUNCT
eurjchem-2484	232	13	is	be	AUX
eurjchem-2484	232	14	assigned	assign	VERB
eurjchem-2484	232	15	to	to	ADP
eurjchem-2484	232	16	βoh	βoh	PROPN
eurjchem-2484	232	17	.	.	PUNCT
eurjchem-2484	233	1	in	in	ADP
eurjchem-2484	233	2	its	its	PRON
eurjchem-2484	233	3	deuterated	deuterated	ADJ
eurjchem-2484	233	4	counterpart	counterpart	NOUN
eurjchem-2484	233	5	,	,	PUNCT
eurjchem-2484	233	6	the	the	DET
eurjchem-2484	233	7	βod	βod	NOUN
eurjchem-2484	233	8	is	be	AUX
eurjchem-2484	233	9	seen	see	VERB
eurjchem-2484	233	10	at	at	ADP
eurjchem-2484	233	11	1293	1293	NUM
eurjchem-2484	233	12	cm-1	cm-1	NOUN
eurjchem-2484	233	13	.	.	PUNCT
eurjchem-2484	234	1	the	the	DET
eurjchem-2484	234	2	band	band	NOUN
eurjchem-2484	234	3	observed	observe	VERB
eurjchem-2484	234	4	at	at	ADP
eurjchem-2484	234	5	1293	1293	NUM
eurjchem-2484	234	6	cm-1	cm-1	NOUN
eurjchem-2484	234	7	in	in	ADP
eurjchem-2484	234	8	4	4	NUM
eurjchem-2484	234	9	-	-	PUNCT
eurjchem-2484	234	10	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	234	11	,	,	PUNCT
eurjchem-2484	234	12	can	can	AUX
eurjchem-2484	234	13	be	be	AUX
eurjchem-2484	234	14	assigned	assign	VERB
eurjchem-2484	234	15	to	to	ADP
eurjchem-2484	234	16	νc	νc	NOUN
eurjchem-2484	234	17	-	-	PUNCT
eurjchem-2484	234	18	oh	oh	INTJ
eurjchem-2484	234	19	.	.	PUNCT
eurjchem-2484	235	1	on	on	ADP
eurjchem-2484	235	2	deuteration	deuteration	NOUN
eurjchem-2484	235	3	,	,	PUNCT
eurjchem-2484	235	4	the	the	DET
eurjchem-2484	235	5	νc	νc	NOUN
eurjchem-2484	235	6	-	-	PUNCT
eurjchem-2484	235	7	od	od	NUM
eurjchem-2484	235	8	band	band	NOUN
eurjchem-2484	235	9	is	be	AUX
eurjchem-2484	235	10	seen	see	VERB
eurjchem-2484	235	11	at	at	ADP
eurjchem-2484	235	12	a	a	DET
eurjchem-2484	235	13	lower	low	ADJ
eurjchem-2484	235	14	frequency	frequency	NOUN
eurjchem-2484	235	15	.	.	PUNCT
eurjchem-2484	236	1	the	the	DET
eurjchem-2484	236	2	isolated	isolated	ADJ
eurjchem-2484	236	3	po43tetrahedron	po43tetrahedron	PROPN
eurjchem-2484	236	4	has	have	VERB
eurjchem-2484	236	5	td	td	NOUN
eurjchem-2484	236	6	symmetry	symmetry	NOUN
eurjchem-2484	236	7	[	[	X
eurjchem-2484	236	8	31	31	NUM
eurjchem-2484	236	9	]	]	PUNCT
eurjchem-2484	236	10	.	.	PUNCT
eurjchem-2484	237	1	however	however	ADV
eurjchem-2484	237	2	,	,	PUNCT
eurjchem-2484	237	3	in	in	ADP
eurjchem-2484	237	4	the	the	DET
eurjchem-2484	237	5	h2po4	h2po4	NOUN
eurjchem-2484	237	6	–	–	PUNCT
eurjchem-2484	237	7	tetrahedron	tetrahedron	NOUN
eurjchem-2484	237	8	,	,	PUNCT
eurjchem-2484	237	9	the	the	DET
eurjchem-2484	237	10	localization	localization	NOUN
eurjchem-2484	237	11	of	of	ADP
eurjchem-2484	237	12	two	two	NUM
eurjchem-2484	237	13	protons	proton	NOUN
eurjchem-2484	237	14	on	on	ADP
eurjchem-2484	237	15	two	two	NUM
eurjchem-2484	237	16	oxygen	oxygen	NOUN
eurjchem-2484	237	17	atoms	atom	NOUN
eurjchem-2484	237	18	reduces	reduce	VERB
eurjchem-2484	237	19	the	the	DET
eurjchem-2484	237	20	ideal	ideal	ADJ
eurjchem-2484	237	21	symmetry	symmetry	NOUN
eurjchem-2484	237	22	from	from	ADP
eurjchem-2484	237	23	td	td	NOUN
eurjchem-2484	237	24	to	to	ADP
eurjchem-2484	237	25	c2v	c2v	NOUN
eurjchem-2484	237	26	.	.	PUNCT
eurjchem-2484	238	1	this	this	PRON
eurjchem-2484	238	2	gives	give	VERB
eurjchem-2484	238	3	rise	rise	NOUN
eurjchem-2484	238	4	to	to	ADP
eurjchem-2484	238	5	15	15	NUM
eurjchem-2484	238	6	internal	internal	ADJ
eurjchem-2484	238	7	vibrations	vibration	NOUN
eurjchem-2484	238	8	active	active	ADJ
eurjchem-2484	238	9	in	in	ADP
eurjchem-2484	238	10	ir	ir	PROPN
eurjchem-2484	238	11	and	and	CCONJ
eurjchem-2484	238	12	raman	raman	NOUN
eurjchem-2484	238	13	,	,	PUNCT
eurjchem-2484	238	14	but	but	CCONJ
eurjchem-2484	238	15	exceptional	exceptional	ADJ
eurjchem-2484	238	16	has	have	AUX
eurjchem-2484	238	17	been	be	AUX
eurjchem-2484	238	18	the	the	DET
eurjchem-2484	238	19	a2	a2	PROPN
eurjchem-2484	238	20	mode	mode	NOUN
eurjchem-2484	238	21	,	,	PUNCT
eurjchem-2484	238	22	which	which	PRON
eurjchem-2484	238	23	is	be	AUX
eurjchem-2484	238	24	only	only	ADV
eurjchem-2484	238	25	raman	raman	VERB
eurjchem-2484	238	26	active	active	ADJ
eurjchem-2484	239	1	[	[	X
eurjchem-2484	239	2	32,33	32,33	NUM
eurjchem-2484	239	3	]	]	PUNCT
eurjchem-2484	239	4	.	.	PUNCT
eurjchem-2484	240	1	however	however	ADV
eurjchem-2484	240	2	,	,	PUNCT
eurjchem-2484	240	3	in	in	ADP
eurjchem-2484	240	4	the	the	DET
eurjchem-2484	240	5	crystal	crystal	NOUN
eurjchem-2484	240	6	,	,	PUNCT
eurjchem-2484	240	7	the	the	DET
eurjchem-2484	240	8	h2po4	h2po4	NOUN
eurjchem-2484	240	9	–	–	PUNCT
eurjchem-2484	240	10	tetrahedron	tetrahedron	NOUN
eurjchem-2484	240	11	has	have	VERB
eurjchem-2484	240	12	a	a	DET
eurjchem-2484	240	13	lower	low	ADJ
eurjchem-2484	240	14	local	local	ADJ
eurjchem-2484	240	15	symmetry	symmetry	NOUN
eurjchem-2484	240	16	c1	c1	NOUN
eurjchem-2484	240	17	,	,	PUNCT
eurjchem-2484	240	18	and	and	CCONJ
eurjchem-2484	240	19	therefore	therefore	ADV
eurjchem-2484	240	20	anisotropic	anisotropic	NOUN
eurjchem-2484	240	21	crystal	crystal	NOUN
eurjchem-2484	240	22	fields	field	NOUN
eurjchem-2484	240	23	can	can	AUX
eurjchem-2484	240	24	increase	increase	VERB
eurjchem-2484	240	25	the	the	DET
eurjchem-2484	240	26	degeneracy	degeneracy	NOUN
eurjchem-2484	240	27	and	and	CCONJ
eurjchem-2484	240	28	allow	allow	VERB
eurjchem-2484	240	29	inactive	inactive	ADJ
eurjchem-2484	240	30	modes	mode	NOUN
eurjchem-2484	240	31	to	to	PART
eurjchem-2484	240	32	be	be	AUX
eurjchem-2484	240	33	active	active	ADJ
eurjchem-2484	240	34	.	.	PUNCT
eurjchem-2484	241	1	the	the	DET
eurjchem-2484	241	2	correlation	correlation	NOUN
eurjchem-2484	241	3	of	of	ADP
eurjchem-2484	241	4	group	group	NOUN
eurjchem-2484	241	5	to	to	ADP
eurjchem-2484	241	6	subgroup	subgroup	PROPN
eurjchem-2484	241	7	shows	show	VERB
eurjchem-2484	241	8	that	that	SCONJ
eurjchem-2484	241	9	these	these	DET
eurjchem-2484	241	10	modes	mode	NOUN
eurjchem-2484	241	11	in	in	ADP
eurjchem-2484	241	12	h2po4	h2po4	NOUN
eurjchem-2484	241	13	–	–	PUNCT
eurjchem-2484	241	14	can	can	AUX
eurjchem-2484	241	15	be	be	AUX
eurjchem-2484	241	16	divided	divide	VERB
eurjchem-2484	241	17	into	into	ADP
eurjchem-2484	241	18	(	(	PUNCT
eurjchem-2484	241	19	2a1	2a1	NUM
eurjchem-2484	241	20	+	+	CCONJ
eurjchem-2484	241	21	b1	b1	NOUN
eurjchem-2484	241	22	+	+	CCONJ
eurjchem-2484	241	23	b2	b2	NOUN
eurjchem-2484	241	24	)	)	PUNCT
eurjchem-2484	241	25	stretching	stretching	NOUN
eurjchem-2484	241	26	and	and	CCONJ
eurjchem-2484	241	27	(	(	PUNCT
eurjchem-2484	241	28	2a1	2a1	NUM
eurjchem-2484	241	29	+	+	NUM
eurjchem-2484	241	30	a2	a2	PROPN
eurjchem-2484	241	31	+	+	CCONJ
eurjchem-2484	241	32	b1	b1	NOUN
eurjchem-2484	241	33	+	+	CCONJ
eurjchem-2484	241	34	b2	b2	NOUN
eurjchem-2484	241	35	)	)	PUNCT
eurjchem-2484	241	36	bending	bend	VERB
eurjchem-2484	241	37	vibrations	vibration	NOUN
eurjchem-2484	241	38	with	with	ADP
eurjchem-2484	241	39	c2v	c2v	PROPN
eurjchem-2484	241	40	symmetry	symmetry	NOUN
eurjchem-2484	241	41	.	.	PUNCT
eurjchem-2484	242	1	h2po4	h2po4	NOUN
eurjchem-2484	242	2	–	–	PUNCT
eurjchem-2484	242	3	anion	anion	NOUN
eurjchem-2484	242	4	interpretation	interpretation	NOUN
eurjchem-2484	242	5	is	be	AUX
eurjchem-2484	242	6	made	make	VERB
eurjchem-2484	242	7	in	in	ADP
eurjchem-2484	242	8	terms	term	NOUN
eurjchem-2484	242	9	of	of	ADP
eurjchem-2484	242	10	internal	internal	ADJ
eurjchem-2484	242	11	modes	mode	NOUN
eurjchem-2484	242	12	of	of	ADP
eurjchem-2484	242	13	two	two	NUM
eurjchem-2484	242	14	atomic	atomic	ADJ
eurjchem-2484	242	15	groups	group	NOUN
eurjchem-2484	242	16	,	,	PUNCT
eurjchem-2484	242	17	po2	po2	PROPN
eurjchem-2484	242	18	(	(	PUNCT
eurjchem-2484	242	19	o	o	NOUN
eurjchem-2484	242	20	=	=	SYM
eurjchem-2484	242	21	p	p	X
eurjchem-2484	242	22	=	=	NOUN
eurjchem-2484	242	23	o	o	NOUN
eurjchem-2484	242	24	)	)	PUNCT
eurjchem-2484	242	25	and	and	CCONJ
eurjchem-2484	242	26	p(oh)2	p(oh)2	PROPN
eurjchem-2484	242	27	(	(	PUNCT
eurjchem-2484	242	28	ho	ho	ADJ
eurjchem-2484	242	29	-	-	PUNCT
eurjchem-2484	242	30	p	p	NOUN
eurjchem-2484	242	31	-	-	PUNCT
eurjchem-2484	242	32	oh	oh	INTJ
eurjchem-2484	242	33	)	)	PUNCT
eurjchem-2484	242	34	.	.	PUNCT
eurjchem-2484	243	1	according	accord	VERB
eurjchem-2484	243	2	to	to	ADP
eurjchem-2484	243	3	reference	reference	NOUN
eurjchem-2484	243	4	[	[	X
eurjchem-2484	243	5	34	34	NUM
eurjchem-2484	243	6	]	]	PUNCT
eurjchem-2484	243	7	,	,	PUNCT
eurjchem-2484	243	8	the	the	DET
eurjchem-2484	243	9	ftir	ftir	PROPN
eurjchem-2484	243	10	spectrum	spectrum	NOUN
eurjchem-2484	243	11	of	of	ADP
eurjchem-2484	243	12	h2po4	h2po4	NOUN
eurjchem-2484	243	13	–	–	PUNCT
eurjchem-2484	243	14	exhibits	exhibit	VERB
eurjchem-2484	243	15	five	five	NUM
eurjchem-2484	243	16	sharp	sharp	ADJ
eurjchem-2484	243	17	bands	band	NOUN
eurjchem-2484	243	18	at	at	ADP
eurjchem-2484	243	19	1156	1156	NUM
eurjchem-2484	243	20	,	,	PUNCT
eurjchem-2484	243	21	1077	1077	NUM
eurjchem-2484	243	22	,	,	PUNCT
eurjchem-2484	243	23	944	944	NUM
eurjchem-2484	243	24	,	,	PUNCT
eurjchem-2484	243	25	879	879	NUM
eurjchem-2484	243	26	,	,	PUNCT
eurjchem-2484	243	27	and	and	CCONJ
eurjchem-2484	243	28	521	521	NUM
eurjchem-2484	243	29	cm-1	cm-1	NOUN
eurjchem-2484	243	30	,	,	PUNCT
eurjchem-2484	243	31	which	which	PRON
eurjchem-2484	243	32	is	be	AUX
eurjchem-2484	243	33	assigned	assign	VERB
eurjchem-2484	243	34	to	to	ADP
eurjchem-2484	243	35	(	(	PUNCT
eurjchem-2484	243	36	two	two	NUM
eurjchem-2484	243	37	p	p	ADJ
eurjchem-2484	243	38	-	-	PUNCT
eurjchem-2484	243	39	o	o	NOUN
eurjchem-2484	243	40	stretches	stretch	NOUN
eurjchem-2484	243	41	,	,	PUNCT
eurjchem-2484	243	42	two	two	NUM
eurjchem-2484	243	43	p	p	ADJ
eurjchem-2484	243	44	-	-	PUNCT
eurjchem-2484	243	45	oh	oh	NUM
eurjchem-2484	243	46	stretches	stretch	NOUN
eurjchem-2484	243	47	,	,	PUNCT
eurjchem-2484	243	48	and	and	CCONJ
eurjchem-2484	243	49	o	o	X
eurjchem-2484	243	50	-	-	ADJ
eurjchem-2484	243	51	p	p	ADJ
eurjchem-2484	243	52	-	-	PUNCT
eurjchem-2484	243	53	o	o	NOUN
eurjchem-2484	243	54	bending	bend	VERB
eurjchem-2484	243	55	modes	mode	NOUN
eurjchem-2484	243	56	)	)	PUNCT
eurjchem-2484	243	57	νas(po	νas(po	VERB
eurjchem-2484	243	58	)	)	PUNCT
eurjchem-2484	243	59	,	,	PUNCT
eurjchem-2484	243	60	νs(po	νs(po	PROPN
eurjchem-2484	243	61	)	)	PUNCT
eurjchem-2484	243	62	,	,	PUNCT
eurjchem-2484	243	63	νas(poh	νas(poh	PROPN
eurjchem-2484	243	64	)	)	PUNCT
eurjchem-2484	243	65	,	,	PUNCT
eurjchem-2484	243	66	νs(poh	νs(poh	PROPN
eurjchem-2484	243	67	)	)	PUNCT
eurjchem-2484	243	68	and	and	CCONJ
eurjchem-2484	243	69	δ(opo	δ(opo	NUM
eurjchem-2484	243	70	)	)	PUNCT
eurjchem-2484	243	71	,	,	PUNCT
eurjchem-2484	243	72	respectively	respectively	ADV
eurjchem-2484	243	73	,	,	PUNCT
eurjchem-2484	243	74	these	these	PRON
eurjchem-2484	243	75	are	be	AUX
eurjchem-2484	243	76	two	two	NUM
eurjchem-2484	243	77	stretching	stretch	VERB
eurjchem-2484	243	78	vibrations	vibration	NOUN
eurjchem-2484	243	79	,	,	PUNCT
eurjchem-2484	243	80	asymmetric	asymmetric	ADJ
eurjchem-2484	243	81	and	and	CCONJ
eurjchem-2484	243	82	symmetric	symmetric	NOUN
eurjchem-2484	243	83	of	of	ADP
eurjchem-2484	243	84	po2	po2	PROPN
eurjchem-2484	243	85	group	group	NOUN
eurjchem-2484	243	86	,	,	PUNCT
eurjchem-2484	243	87	and	and	CCONJ
eurjchem-2484	243	88	those	those	PRON
eurjchem-2484	243	89	related	relate	VERB
eurjchem-2484	243	90	to	to	ADP
eurjchem-2484	243	91	p(oh)2	p(oh)2	NOUN
eurjchem-2484	243	92	.	.	PUNCT
eurjchem-2484	244	1	the	the	DET
eurjchem-2484	244	2	bending	bend	VERB
eurjchem-2484	244	3	modes	mode	NOUN
eurjchem-2484	244	4	of	of	ADP
eurjchem-2484	244	5	the	the	DET
eurjchem-2484	244	6	h2po4	h2po4	NOUN
eurjchem-2484	244	7	–	–	PUNCT
eurjchem-2484	244	8	group	group	NOUN
eurjchem-2484	244	9	are	be	AUX
eurjchem-2484	244	10	observed	observe	VERB
eurjchem-2484	244	11	at	at	ADP
eurjchem-2484	244	12	lower	low	ADJ
eurjchem-2484	244	13	frequencies	frequency	NOUN
eurjchem-2484	244	14	.	.	PUNCT
eurjchem-2484	245	1	the	the	DET
eurjchem-2484	245	2	broad	broad	ADJ
eurjchem-2484	245	3	shoulder	shoulder	NOUN
eurjchem-2484	245	4	at	at	ADP
eurjchem-2484	245	5	1213	1213	NUM
eurjchem-2484	245	6	cm-1	cm-1	VERB
eurjchem-2484	245	7	is	be	AUX
eurjchem-2484	245	8	assigned	assign	VERB
eurjchem-2484	245	9	to	to	ADP
eurjchem-2484	245	10	the	the	DET
eurjchem-2484	245	11	two	two	NUM
eurjchem-2484	245	12	p	p	ADJ
eurjchem-2484	245	13	-	-	PUNCT
eurjchem-2484	245	14	oh	oh	INTJ
eurjchem-2484	245	15	-	-	PUNCT
eurjchem-2484	245	16	h	h	NOUN
eurjchem-2484	245	17	bending	bend	VERB
eurjchem-2484	245	18	modes	mode	NOUN
eurjchem-2484	245	19	bands	band	NOUN
eurjchem-2484	245	20	,	,	PUNCT
eurjchem-2484	245	21	δs(pohh	δs(pohh	PROPN
eurjchem-2484	245	22	)	)	PUNCT
eurjchem-2484	245	23	and	and	CCONJ
eurjchem-2484	245	24	δas(pohh	δas(pohh	NUM
eurjchem-2484	245	25	)	)	PUNCT
eurjchem-2484	246	1	[	[	X
eurjchem-2484	246	2	34,35	34,35	NOUN
eurjchem-2484	246	3	]	]	PUNCT
eurjchem-2484	246	4	.	.	PUNCT
eurjchem-2484	247	1	the	the	DET
eurjchem-2484	247	2	band	band	NOUN
eurjchem-2484	247	3	at	at	ADP
eurjchem-2484	247	4	748	748	NUM
eurjchem-2484	247	5	cm−1	cm−1	NOUN
eurjchem-2484	247	6	corresponds	correspond	NOUN
eurjchem-2484	247	7	to	to	ADP
eurjchem-2484	247	8	the	the	DET
eurjchem-2484	247	9	rocking	rocking	ADJ
eurjchem-2484	247	10	ρ(po2	ρ(po2	NOUN
eurjchem-2484	247	11	)	)	PUNCT
eurjchem-2484	247	12	vibrations	vibration	NOUN
eurjchem-2484	247	13	.	.	PUNCT
eurjchem-2484	248	1	4	4	NUM
eurjchem-2484	248	2	-	-	PUNCT
eurjchem-2484	248	3	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	248	4	compound	compound	NOUN
eurjchem-2484	248	5	consists	consist	VERB
eurjchem-2484	248	6	of	of	ADP
eurjchem-2484	248	7	a	a	DET
eurjchem-2484	248	8	dihydrogen	dihydrogen	NOUN
eurjchem-2484	248	9	phosphate	phosphate	NOUN
eurjchem-2484	248	10	ion	ion	NOUN
eurjchem-2484	248	11	(	(	PUNCT
eurjchem-2484	248	12	(	(	PUNCT
eurjchem-2484	248	13	ho)2po2	ho)2po2	ADJ
eurjchem-2484	248	14	–	–	PUNCT
eurjchem-2484	248	15	)	)	PUNCT
eurjchem-2484	248	16	.	.	PUNCT
eurjchem-2484	249	1	in	in	ADP
eurjchem-2484	249	2	the	the	DET
eurjchem-2484	249	3	crystal	crystal	NOUN
eurjchem-2484	249	4	structure	structure	NOUN
eurjchem-2484	249	5	,	,	PUNCT
eurjchem-2484	249	6	these	these	DET
eurjchem-2484	249	7	ions	ion	NOUN
eurjchem-2484	249	8	exist	exist	VERB
eurjchem-2484	249	9	as	as	ADP
eurjchem-2484	249	10	a	a	DET
eurjchem-2484	249	11	polymeric	polymeric	ADJ
eurjchem-2484	249	12	chain	chain	NOUN
eurjchem-2484	249	13	by	by	ADP
eurjchem-2484	249	14	forming	form	VERB
eurjchem-2484	249	15	p	p	X
eurjchem-2484	249	16	=	=	ADJ
eurjchem-2484	249	17	o···h	o···h	NOUN
eurjchem-2484	249	18	-	-	PUNCT
eurjchem-2484	249	19	o	o	NOUN
eurjchem-2484	249	20	-	-	ADJ
eurjchem-2484	249	21	p	p	ADJ
eurjchem-2484	249	22	hydrogen	hydrogen	NOUN
eurjchem-2484	249	23	bond	bond	NOUN
eurjchem-2484	249	24	between	between	ADP
eurjchem-2484	249	25	the	the	DET
eurjchem-2484	249	26	adjacent	adjacent	ADJ
eurjchem-2484	249	27	h2po4	h2po4	NOUN
eurjchem-2484	249	28	–	–	PUNCT
eurjchem-2484	249	29	ions	ion	NOUN
eurjchem-2484	249	30	.	.	PUNCT
eurjchem-2484	250	1	the	the	DET
eurjchem-2484	250	2	bending	bend	VERB
eurjchem-2484	250	3	vibration	vibration	NOUN
eurjchem-2484	250	4	of	of	ADP
eurjchem-2484	250	5	p	p	PROPN
eurjchem-2484	250	6	-	-	PUNCT
eurjchem-2484	250	7	oh	oh	INTJ
eurjchem-2484	250	8	,	,	PUNCT
eurjchem-2484	250	9	δs(pohh	δs(pohh	PROPN
eurjchem-2484	250	10	)	)	PUNCT
eurjchem-2484	250	11	and	and	CCONJ
eurjchem-2484	250	12	δas(pohh	δas(pohh	NOUN
eurjchem-2484	250	13	)	)	PUNCT
eurjchem-2484	250	14	occur	occur	VERB
eurjchem-2484	250	15	as	as	ADP
eurjchem-2484	250	16	abroad	abroad	ADJ
eurjchem-2484	250	17	band	band	NOUN
eurjchem-2484	250	18	at	at	ADP
eurjchem-2484	250	19	1212	1212	NUM
eurjchem-2484	250	20	cm-1	cm-1	NOUN
eurjchem-2484	250	21	.	.	PUNCT
eurjchem-2484	251	1	the	the	DET
eurjchem-2484	251	2	vibrational	vibrational	ADJ
eurjchem-2484	251	3	bands	band	NOUN
eurjchem-2484	251	4	observed	observe	VERB
eurjchem-2484	251	5	at	at	ADP
eurjchem-2484	251	6	1093	1093	NUM
eurjchem-2484	251	7	and	and	CCONJ
eurjchem-2484	251	8	1019	1019	NUM
eurjchem-2484	251	9	cm-1	cm-1	VERB
eurjchem-2484	251	10	are	be	AUX
eurjchem-2484	251	11	attributed	attribute	VERB
eurjchem-2484	251	12	to	to	ADP
eurjchem-2484	251	13	the	the	DET
eurjchem-2484	251	14	asymmetric	asymmetric	ADJ
eurjchem-2484	251	15	(	(	PUNCT
eurjchem-2484	251	16	νas(po	νas(po	VERB
eurjchem-2484	251	17	)	)	PUNCT
eurjchem-2484	251	18	)	)	PUNCT
eurjchem-2484	252	1	and	and	CCONJ
eurjchem-2484	252	2	symmetric	symmetric	ADJ
eurjchem-2484	252	3	(	(	PUNCT
eurjchem-2484	252	4	νs(po	νs(po	PROPN
eurjchem-2484	252	5	)	)	PUNCT
eurjchem-2484	252	6	)	)	PUNCT
eurjchem-2484	252	7	stretching	stretch	VERB
eurjchem-2484	252	8	vibrations	vibration	NOUN
eurjchem-2484	252	9	of	of	ADP
eurjchem-2484	252	10	the	the	DET
eurjchem-2484	252	11	p	p	PROPN
eurjchem-2484	252	12	-	-	PUNCT
eurjchem-2484	252	13	o	o	NOUN
eurjchem-2484	252	14	bond	bond	NOUN
eurjchem-2484	252	15	.	.	PUNCT
eurjchem-2484	253	1	the	the	DET
eurjchem-2484	253	2	vibrational	vibrational	ADJ
eurjchem-2484	253	3	bands	band	NOUN
eurjchem-2484	253	4	seen	see	VERB
eurjchem-2484	253	5	at	at	ADP
eurjchem-2484	253	6	999	999	NUM
eurjchem-2484	253	7	and	and	CCONJ
eurjchem-2484	253	8	958	958	NUM
eurjchem-2484	253	9	cm-1	cm-1	VERB
eurjchem-2484	253	10	are	be	AUX
eurjchem-2484	253	11	ascribed	ascribe	VERB
eurjchem-2484	253	12	to	to	ADP
eurjchem-2484	253	13	the	the	DET
eurjchem-2484	253	14	asymmetric	asymmetric	ADJ
eurjchem-2484	253	15	(	(	PUNCT
eurjchem-2484	253	16	νas(poh	νas(poh	NOUN
eurjchem-2484	253	17	)	)	PUNCT
eurjchem-2484	253	18	)	)	PUNCT
eurjchem-2484	254	1	and	and	CCONJ
eurjchem-2484	254	2	symmetric	symmetric	ADJ
eurjchem-2484	254	3	(	(	PUNCT
eurjchem-2484	254	4	νs(poh	νs(poh	NOUN
eurjchem-2484	254	5	)	)	PUNCT
eurjchem-2484	254	6	)	)	PUNCT
eurjchem-2484	254	7	stretching	stretch	VERB
eurjchem-2484	254	8	vibrations	vibration	NOUN
eurjchem-2484	254	9	of	of	ADP
eurjchem-2484	254	10	the	the	DET
eurjchem-2484	254	11	p	p	ADJ
eurjchem-2484	254	12	-	-	PUNCT
eurjchem-2484	254	13	oh	oh	NOUN
eurjchem-2484	254	14	bond	bond	NOUN
eurjchem-2484	254	15	.	.	PUNCT
eurjchem-2484	255	1	the	the	DET
eurjchem-2484	255	2	vibration	vibration	NOUN
eurjchem-2484	255	3	bands	band	NOUN
eurjchem-2484	255	4	,	,	PUNCT
eurjchem-2484	255	5	νas(po	νas(po	NOUN
eurjchem-2484	255	6	)	)	PUNCT
eurjchem-2484	255	7	,	,	PUNCT
eurjchem-2484	255	8	νs(po	νs(po	PROPN
eurjchem-2484	255	9	)	)	PUNCT
eurjchem-2484	255	10	,	,	PUNCT
eurjchem-2484	255	11	νas(poh	νas(poh	PROPN
eurjchem-2484	255	12	)	)	PUNCT
eurjchem-2484	255	13	and	and	CCONJ
eurjchem-2484	255	14	νs(poh	νs(poh	NOUN
eurjchem-2484	255	15	)	)	PUNCT
eurjchem-2484	255	16	are	be	AUX
eurjchem-2484	255	17	not	not	PART
eurjchem-2484	255	18	affected	affect	VERB
eurjchem-2484	255	19	by	by	ADP
eurjchem-2484	255	20	deuteration	deuteration	NOUN
eurjchem-2484	255	21	(	(	PUNCT
eurjchem-2484	255	22	table	table	NOUN
eurjchem-2484	255	23	5	5	NUM
eurjchem-2484	255	24	)	)	PUNCT
eurjchem-2484	255	25	.	.	PUNCT
eurjchem-2484	256	1	but	but	CCONJ
eurjchem-2484	256	2	the	the	DET
eurjchem-2484	256	3	vibrational	vibrational	ADJ
eurjchem-2484	256	4	bands	band	NOUN
eurjchem-2484	256	5	,	,	PUNCT
eurjchem-2484	256	6	δs(pohh	δs(pohh	PROPN
eurjchem-2484	256	7	)	)	PUNCT
eurjchem-2484	256	8	and	and	CCONJ
eurjchem-2484	256	9	δas(pohh	δas(pohh	NOUN
eurjchem-2484	256	10	)	)	PUNCT
eurjchem-2484	256	11	shows	show	VERB
eurjchem-2484	256	12	shift	shift	VERB
eurjchem-2484	256	13	to	to	ADP
eurjchem-2484	256	14	lower	low	ADJ
eurjchem-2484	256	15	frequency	frequency	NOUN
eurjchem-2484	256	16	on	on	ADP
eurjchem-2484	256	17	deuteration	deuteration	NOUN
eurjchem-2484	256	18	.	.	PUNCT
eurjchem-2484	257	1	when	when	SCONJ
eurjchem-2484	257	2	compared	compare	VERB
eurjchem-2484	257	3	to	to	ADP
eurjchem-2484	257	4	ir	ir	PROPN
eurjchem-2484	257	5	spectra	spectra	NOUN
eurjchem-2484	257	6	of	of	ADP
eurjchem-2484	257	7	neat	neat	ADJ
eurjchem-2484	257	8	h2po4ions	h2po4ion	NOUN
eurjchem-2484	257	9	,	,	PUNCT
eurjchem-2484	257	10	the	the	DET
eurjchem-2484	257	11	νas(po	νas(po	NOUN
eurjchem-2484	257	12	)	)	PUNCT
eurjchem-2484	257	13	and	and	CCONJ
eurjchem-2484	257	14	νs(po	νs(po	PROPN
eurjchem-2484	257	15	)	)	PUNCT
eurjchem-2484	257	16	vibrational	vibrational	NOUN
eurjchem-2484	257	17	bands	band	NOUN
eurjchem-2484	257	18	in	in	ADP
eurjchem-2484	257	19	4cah2po4.h2o	4cah2po4.h2o	NUM
eurjchem-2484	257	20	show	show	VERB
eurjchem-2484	257	21	a	a	DET
eurjchem-2484	257	22	blue	blue	ADJ
eurjchem-2484	257	23	shift	shift	NOUN
eurjchem-2484	257	24	(	(	PUNCT
eurjchem-2484	257	25	decrease	decrease	NOUN
eurjchem-2484	257	26	)	)	PUNCT
eurjchem-2484	257	27	of	of	ADP
eurjchem-2484	257	28	63	63	NUM
eurjchem-2484	257	29	and	and	CCONJ
eurjchem-2484	257	30	58	58	NUM
eurjchem-2484	257	31	cm-1	cm-1	NOUN
eurjchem-2484	257	32	,	,	PUNCT
eurjchem-2484	257	33	respectively	respectively	ADV
eurjchem-2484	257	34	,	,	PUNCT
eurjchem-2484	257	35	indicating	indicate	VERB
eurjchem-2484	257	36	a	a	DET
eurjchem-2484	257	37	strong	strong	ADJ
eurjchem-2484	257	38	h	h	NOUN
eurjchem-2484	257	39	-	-	PUNCT
eurjchem-2484	257	40	bond	bond	NOUN
eurjchem-2484	257	41	with	with	ADP
eurjchem-2484	257	42	p	p	NOUN
eurjchem-2484	257	43	=	=	X
eurjchem-2484	257	44	o	o	X
eurjchem-2484	257	45	in	in	ADP
eurjchem-2484	257	46	the	the	DET
eurjchem-2484	257	47	compound	compound	NOUN
eurjchem-2484	257	48	.	.	PUNCT
eurjchem-2484	258	1	the	the	DET
eurjchem-2484	258	2	νas(poh	νas(poh	NOUN
eurjchem-2484	258	3	)	)	PUNCT
eurjchem-2484	258	4	and	and	CCONJ
eurjchem-2484	258	5	νs(poh	νs(poh	ADJ
eurjchem-2484	258	6	)	)	PUNCT
eurjchem-2484	258	7	vibrational	vibrational	NOUN
eurjchem-2484	258	8	bands	band	NOUN
eurjchem-2484	258	9	show	show	VERB
eurjchem-2484	258	10	a	a	DET
eurjchem-2484	258	11	red	red	ADJ
eurjchem-2484	258	12	shift	shift	NOUN
eurjchem-2484	258	13	(	(	PUNCT
eurjchem-2484	258	14	increase	increase	NOUN
eurjchem-2484	258	15	)	)	PUNCT
eurjchem-2484	258	16	of	of	ADP
eurjchem-2484	258	17	55	55	NUM
eurjchem-2484	258	18	and	and	CCONJ
eurjchem-2484	258	19	79	79	NUM
eurjchem-2484	258	20	cm-1	cm-1	NOUN
eurjchem-2484	258	21	,	,	PUNCT
eurjchem-2484	258	22	respectively	respectively	ADV
eurjchem-2484	258	23	,	,	PUNCT
eurjchem-2484	258	24	indicating	indicate	VERB
eurjchem-2484	258	25	a	a	DET
eurjchem-2484	258	26	reduced	reduced	ADJ
eurjchem-2484	258	27	h	h	NOUN
eurjchem-2484	258	28	-	-	PUNCT
eurjchem-2484	258	29	bonding	bond	VERB
eurjchem-2484	258	30	interaction	interaction	NOUN
eurjchem-2484	258	31	with	with	ADP
eurjchem-2484	258	32	p	p	NOUN
eurjchem-2484	258	33	-	-	INTJ
eurjchem-2484	258	34	oh	oh	NOUN
eurjchem-2484	258	35	in	in	ADP
eurjchem-2484	258	36	the	the	DET
eurjchem-2484	258	37	compound	compound	NOUN
eurjchem-2484	258	38	than	than	ADP
eurjchem-2484	258	39	the	the	DET
eurjchem-2484	258	40	neat	neat	ADJ
eurjchem-2484	258	41	h2po4ions	h2po4ion	NOUN
eurjchem-2484	258	42	.	.	PUNCT
eurjchem-2484	259	1	however	however	ADV
eurjchem-2484	259	2	,	,	PUNCT
eurjchem-2484	259	3	the	the	DET
eurjchem-2484	259	4	bending	bend	VERB
eurjchem-2484	259	5	vibration	vibration	NOUN
eurjchem-2484	259	6	of	of	ADP
eurjchem-2484	259	7	poh	poh	PROPN
eurjchem-2484	259	8	,	,	PUNCT
eurjchem-2484	259	9	δs(pohh	δs(pohh	PROPN
eurjchem-2484	259	10	)	)	PUNCT
eurjchem-2484	259	11	,	,	PUNCT
eurjchem-2484	259	12	and	and	CCONJ
eurjchem-2484	259	13	δas(pohh	δas(pohh	NOUN
eurjchem-2484	259	14	)	)	PUNCT
eurjchem-2484	259	15	is	be	AUX
eurjchem-2484	259	16	not	not	PART
eurjchem-2484	259	17	affected	affect	VERB
eurjchem-2484	259	18	by	by	ADP
eurjchem-2484	259	19	the	the	DET
eurjchem-2484	259	20	complex	complex	ADJ
eurjchem-2484	259	21	formation	formation	NOUN
eurjchem-2484	259	22	.	.	PUNCT
eurjchem-2484	260	1	the	the	DET
eurjchem-2484	260	2	vibrational	vibrational	ADJ
eurjchem-2484	260	3	spectra	spectra	NOUN
eurjchem-2484	260	4	and	and	CCONJ
eurjchem-2484	260	5	assignments	assignment	NOUN
eurjchem-2484	260	6	of	of	ADP
eurjchem-2484	260	7	the	the	DET
eurjchem-2484	260	8	modes	mode	NOUN
eurjchem-2484	260	9	of	of	ADP
eurjchem-2484	260	10	(	(	PUNCT
eurjchem-2484	260	11	ho)2po2obtained	ho)2po2obtained	PROPN
eurjchem-2484	260	12	are	be	AUX
eurjchem-2484	260	13	consistent	consistent	ADJ
eurjchem-2484	260	14	with	with	ADP
eurjchem-2484	260	15	those	those	PRON
eurjchem-2484	260	16	reported	report	VERB
eurjchem-2484	260	17	for	for	ADP
eurjchem-2484	260	18	dihydrogen	dihydrogen	NOUN
eurjchem-2484	260	19	phosphate	phosphate	NOUN
eurjchem-2484	260	20	compounds	compound	NOUN
eurjchem-2484	260	21	[	[	X
eurjchem-2484	260	22	32	32	NUM
eurjchem-2484	260	23	]	]	PUNCT
eurjchem-2484	260	24	.	.	PUNCT
eurjchem-2484	261	1	therefore	therefore	ADV
eurjchem-2484	261	2	,	,	PUNCT
eurjchem-2484	261	3	most	most	ADJ
eurjchem-2484	261	4	of	of	ADP
eurjchem-2484	261	5	the	the	DET
eurjchem-2484	261	6	vibrational	vibrational	ADJ
eurjchem-2484	261	7	mode	mode	NOUN
eurjchem-2484	261	8	assignment	assignment	NOUN
eurjchem-2484	261	9	of	of	ADP
eurjchem-2484	261	10	4	4	NUM
eurjchem-2484	261	11	-	-	PUNCT
eurjchem-2484	261	12	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	261	13	could	could	AUX
eurjchem-2484	261	14	be	be	AUX
eurjchem-2484	261	15	done	do	VERB
eurjchem-2484	261	16	by	by	ADP
eurjchem-2484	261	17	comparing	compare	VERB
eurjchem-2484	261	18	the	the	DET
eurjchem-2484	261	19	ir	ir	PROPN
eurjchem-2484	261	20	frequencies	frequency	NOUN
eurjchem-2484	261	21	of	of	ADP
eurjchem-2484	261	22	its	its	PRON
eurjchem-2484	261	23	internal	internal	ADJ
eurjchem-2484	261	24	mode	mode	NOUN
eurjchem-2484	261	25	region	region	NOUN
eurjchem-2484	261	26	with	with	ADP
eurjchem-2484	261	27	those	those	PRON
eurjchem-2484	261	28	observed	observe	VERB
eurjchem-2484	261	29	in	in	ADP
eurjchem-2484	261	30	the	the	DET
eurjchem-2484	261	31	parent	parent	NOUN
eurjchem-2484	261	32	compounds	compound	VERB
eurjchem-2484	261	33	4	4	NUM
eurjchem-2484	261	34	-	-	NUM
eurjchem-2484	261	35	aba	aba	NOUN
eurjchem-2484	261	36	and	and	CCONJ
eurjchem-2484	261	37	h3po4	h3po4	NOUN
eurjchem-2484	261	38	.	.	PUNCT
eurjchem-2484	262	1	lata	lata	PROPN
eurjchem-2484	262	2	panicker	panicker	PROPN
eurjchem-2484	262	3	/	/	SYM
eurjchem-2484	262	4	european	european	PROPN
eurjchem-2484	262	5	journal	journal	PROPN
eurjchem-2484	262	6	of	of	ADP
eurjchem-2484	262	7	chemistry	chemistry	NOUN
eurjchem-2484	262	8	15	15	NUM
eurjchem-2484	262	9	(	(	PUNCT
eurjchem-2484	262	10	1	1	NUM
eurjchem-2484	262	11	)	)	PUNCT
eurjchem-2484	262	12	(	(	PUNCT
eurjchem-2484	262	13	2024	2024	NUM
eurjchem-2484	262	14	)	)	PUNCT
eurjchem-2484	262	15	1	1	NUM
eurjchem-2484	262	16	-	-	SYM
eurjchem-2484	262	17	16	16	NUM
eurjchem-2484	262	18	9	9	NUM
eurjchem-2484	262	19	2024	2024	NUM
eurjchem-2484	262	20	–	–	PUNCT
eurjchem-2484	262	21	european	european	ADJ
eurjchem-2484	262	22	journal	journal	NOUN
eurjchem-2484	262	23	of	of	ADP
eurjchem-2484	262	24	chemistry	chemistry	NOUN
eurjchem-2484	262	25	–	–	PUNCT
eurjchem-2484	262	26	cc	cc	NOUN
eurjchem-2484	262	27	by	by	ADP
eurjchem-2484	262	28	nc	nc	PROPN
eurjchem-2484	262	29	–	–	PUNCT
eurjchem-2484	262	30	doi	doi	PROPN
eurjchem-2484	262	31	:	:	PUNCT
eurjchem-2484	262	32	10.5155	10.5155	NUM
eurjchem-2484	262	33	/	/	SYM
eurjchem-2484	262	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	262	35	-	-	SYM
eurjchem-2484	262	36	16.2484	16.2484	NUM
eurjchem-2484	262	37	figure	figure	NOUN
eurjchem-2484	262	38	9	9	NUM
eurjchem-2484	262	39	.	.	PUNCT
eurjchem-2484	262	40	two	two	NUM
eurjchem-2484	262	41	-	-	PUNCT
eurjchem-2484	262	42	dimensional	dimensional	ADJ
eurjchem-2484	262	43	fingerprint	fingerprint	NOUN
eurjchem-2484	262	44	graphs	graph	NOUN
eurjchem-2484	262	45	of	of	ADP
eurjchem-2484	262	46	4	4	NUM
eurjchem-2484	262	47	-	-	PUNCT
eurjchem-2484	262	48	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	262	49	showing	show	VERB
eurjchem-2484	262	50	the	the	DET
eurjchem-2484	262	51	contributions	contribution	NOUN
eurjchem-2484	262	52	of	of	ADP
eurjchem-2484	262	53	(	(	PUNCT
eurjchem-2484	262	54	a	a	X
eurjchem-2484	262	55	)	)	PUNCT
eurjchem-2484	262	56	all	all	DET
eurjchem-2484	262	57	intermolecular	intermolecular	ADJ
eurjchem-2484	262	58	contacts	contact	NOUN
eurjchem-2484	262	59	and	and	CCONJ
eurjchem-2484	262	60	individual	individual	ADJ
eurjchem-2484	262	61	interactions	interaction	NOUN
eurjchem-2484	262	62	:	:	PUNCT
eurjchem-2484	262	63	(	(	PUNCT
eurjchem-2484	262	64	b	b	X
eurjchem-2484	262	65	)	)	PUNCT
eurjchem-2484	262	66	o···h	o···h	PROPN
eurjchem-2484	262	67	/	/	SYM
eurjchem-2484	262	68	h···o	h···o	PROPN
eurjchem-2484	262	69	,	,	PUNCT
eurjchem-2484	262	70	(	(	PUNCT
eurjchem-2484	262	71	c	c	X
eurjchem-2484	262	72	)	)	PUNCT
eurjchem-2484	262	73	h···h	h···h	PROPN
eurjchem-2484	262	74	,	,	PUNCT
eurjchem-2484	262	75	(	(	PUNCT
eurjchem-2484	262	76	d	d	X
eurjchem-2484	262	77	)	)	PUNCT
eurjchem-2484	262	78	h···c	h···c	PROPN
eurjchem-2484	262	79	/	/	SYM
eurjchem-2484	262	80	c···h	c···h	PROPN
eurjchem-2484	262	81	(	(	PUNCT
eurjchem-2484	262	82	e	e	NOUN
eurjchem-2484	262	83	)	)	PUNCT
eurjchem-2484	262	84	o···c	o···c	PROPN
eurjchem-2484	262	85	/	/	SYM
eurjchem-2484	262	86	c···o	c···o	PROPN
eurjchem-2484	262	87	,	,	PUNCT
eurjchem-2484	262	88	(	(	PUNCT
eurjchem-2484	262	89	f	f	X
eurjchem-2484	262	90	)	)	PUNCT
eurjchem-2484	262	91	c···c	c···c	PROPN
eurjchem-2484	262	92	and	and	CCONJ
eurjchem-2484	262	93	(	(	PUNCT
eurjchem-2484	262	94	g	g	NOUN
eurjchem-2484	262	95	)	)	PUNCT
eurjchem-2484	262	96	o···o	o···o	NOUN
eurjchem-2484	262	97	.	.	PUNCT
eurjchem-2484	263	1	the	the	DET
eurjchem-2484	263	2	outline	outline	NOUN
eurjchem-2484	263	3	of	of	ADP
eurjchem-2484	263	4	the	the	DET
eurjchem-2484	263	5	full	full	ADJ
eurjchem-2484	263	6	fingerprint	fingerprint	NOUN
eurjchem-2484	263	7	plot	plot	NOUN
eurjchem-2484	263	8	is	be	AUX
eurjchem-2484	263	9	shown	show	VERB
eurjchem-2484	263	10	in	in	ADP
eurjchem-2484	263	11	grey	grey	PROPN
eurjchem-2484	263	12	.	.	PUNCT
eurjchem-2484	264	1	hf	hf	PROPN
eurjchem-2484	264	2	surfaces	surface	NOUN
eurjchem-2484	264	3	highlight	highlight	VERB
eurjchem-2484	264	4	the	the	DET
eurjchem-2484	264	5	relevant	relevant	ADJ
eurjchem-2484	264	6	dnorm	dnorm	NOUN
eurjchem-2484	264	7	surface	surface	NOUN
eurjchem-2484	264	8	patches	patch	NOUN
eurjchem-2484	264	9	associated	associate	VERB
eurjchem-2484	264	10	with	with	ADP
eurjchem-2484	264	11	the	the	DET
eurjchem-2484	264	12	specific	specific	ADJ
eurjchem-2484	264	13	intermolecular	intermolecular	ADJ
eurjchem-2484	264	14	contacts	contact	NOUN
eurjchem-2484	264	15	.	.	PUNCT
eurjchem-2484	265	1	the	the	DET
eurjchem-2484	265	2	percentage	percentage	NOUN
eurjchem-2484	265	3	contribution	contribution	NOUN
eurjchem-2484	265	4	is	be	AUX
eurjchem-2484	265	5	specified	specify	VERB
eurjchem-2484	265	6	for	for	ADP
eurjchem-2484	265	7	each	each	DET
eurjchem-2484	265	8	contact	contact	NOUN
eurjchem-2484	265	9	.	.	PUNCT
eurjchem-2484	266	1	3.4	3.4	NUM
eurjchem-2484	266	2	.	.	PUNCT
eurjchem-2484	267	1	hirshfeld	hirshfeld	PROPN
eurjchem-2484	267	2	surface	surface	NOUN
eurjchem-2484	267	3	analysis	analysis	NOUN
eurjchem-2484	267	4	the	the	DET
eurjchem-2484	267	5	intermolecular	intermolecular	ADJ
eurjchem-2484	267	6	interactions	interaction	NOUN
eurjchem-2484	267	7	in	in	ADP
eurjchem-2484	267	8	4	4	NUM
eurjchem-2484	267	9	-	-	PUNCT
eurjchem-2484	267	10	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	267	11	were	be	AUX
eurjchem-2484	267	12	investigated	investigate	VERB
eurjchem-2484	267	13	and	and	CCONJ
eurjchem-2484	267	14	visualized	visualize	VERB
eurjchem-2484	267	15	by	by	ADP
eurjchem-2484	267	16	hs	hs	PROPN
eurjchem-2484	267	17	analyzes	analyze	NOUN
eurjchem-2484	267	18	performed	perform	VERB
eurjchem-2484	267	19	using	use	VERB
eurjchem-2484	267	20	crystalexplorer	crystalexplorer	X
eurjchem-2484	267	21	21	21	NUM
eurjchem-2484	268	1	[	[	X
eurjchem-2484	268	2	13,19	13,19	NUM
eurjchem-2484	268	3	]	]	X
eurjchem-2484	268	4	.	.	PUNCT
eurjchem-2484	269	1	one	one	NUM
eurjchem-2484	269	2	of	of	ADP
eurjchem-2484	269	3	the	the	DET
eurjchem-2484	269	4	4	4	NUM
eurjchem-2484	269	5	-	-	PUNCT
eurjchem-2484	269	6	ca	ca	NOUN
eurjchem-2484	269	7	molecules	molecule	NOUN
eurjchem-2484	269	8	from	from	ADP
eurjchem-2484	269	9	the	the	DET
eurjchem-2484	269	10	asymmetry	asymmetry	NOUN
eurjchem-2484	269	11	unit	unit	NOUN
eurjchem-2484	269	12	was	be	AUX
eurjchem-2484	269	13	used	use	VERB
eurjchem-2484	269	14	to	to	PART
eurjchem-2484	269	15	generate	generate	VERB
eurjchem-2484	269	16	hs	hs	PROPN
eurjchem-2484	269	17	.	.	PUNCT
eurjchem-2484	270	1	the	the	DET
eurjchem-2484	270	2	dnorm	dnorm	NOUN
eurjchem-2484	270	3	mapped	map	VERB
eurjchem-2484	270	4	on	on	ADP
eurjchem-2484	270	5	the	the	DET
eurjchem-2484	270	6	hs	hs	PROPN
eurjchem-2484	270	7	shows	show	VERB
eurjchem-2484	270	8	short	short	ADJ
eurjchem-2484	270	9	intermolecular	intermolecular	ADJ
eurjchem-2484	270	10	contacts	contact	NOUN
eurjchem-2484	270	11	as	as	ADP
eurjchem-2484	270	12	red	red	ADJ
eurjchem-2484	270	13	spots	spot	NOUN
eurjchem-2484	270	14	corresponding	correspond	VERB
eurjchem-2484	270	15	to	to	ADP
eurjchem-2484	270	16	c	c	VERB
eurjchem-2484	270	17	-	-	PUNCT
eurjchem-2484	270	18	oh···o	oh···o	VERB
eurjchem-2484	270	19	,	,	PUNCT
eurjchem-2484	270	20	c	c	NOUN
eurjchem-2484	270	21	=	=	NOUN
eurjchem-2484	270	22	o···h	o···h	NOUN
eurjchem-2484	270	23	and	and	CCONJ
eurjchem-2484	270	24	n	n	CCONJ
eurjchem-2484	270	25	-	-	PUNCT
eurjchem-2484	270	26	h··o	h··o	NOUN
eurjchem-2484	270	27	hydrogen	hydrogen	NOUN
eurjchem-2484	270	28	bonds	bond	NOUN
eurjchem-2484	270	29	(	(	PUNCT
eurjchem-2484	270	30	figure	figure	NOUN
eurjchem-2484	270	31	8)	8)	NUM
eurjchem-2484	270	32	.	.	PUNCT
eurjchem-2484	271	1	the	the	DET
eurjchem-2484	271	2	fingerprint	fingerprint	NOUN
eurjchem-2484	271	3	plot	plot	NOUN
eurjchem-2484	271	4	of	of	ADP
eurjchem-2484	271	5	4	4	NUM
eurjchem-2484	271	6	-	-	PUNCT
eurjchem-2484	271	7	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	271	8	showing	show	VERB
eurjchem-2484	271	9	all	all	DET
eurjchem-2484	271	10	intermolecular	intermolecular	ADJ
eurjchem-2484	271	11	contacts	contact	NOUN
eurjchem-2484	271	12	and	and	CCONJ
eurjchem-2484	271	13	the	the	DET
eurjchem-2484	271	14	contribution	contribution	NOUN
eurjchem-2484	271	15	of	of	ADP
eurjchem-2484	271	16	the	the	DET
eurjchem-2484	271	17	individual	individual	ADJ
eurjchem-2484	271	18	o···h	o···h	PROPN
eurjchem-2484	271	19	/	/	SYM
eurjchem-2484	271	20	h···o	h···o	PROPN
eurjchem-2484	271	21	,	,	PUNCT
eurjchem-2484	271	22	h···h	h···h	PROPN
eurjchem-2484	271	23	,	,	PUNCT
eurjchem-2484	271	24	h···c	h···c	PROPN
eurjchem-2484	271	25	/	/	SYM
eurjchem-2484	271	26	c···h	c···h	PROPN
eurjchem-2484	271	27	,	,	PUNCT
eurjchem-2484	271	28	o···c	o···c	PROPN
eurjchem-2484	271	29	/	/	SYM
eurjchem-2484	271	30	c···o	c···o	PROPN
eurjchem-2484	271	31	and	and	CCONJ
eurjchem-2484	271	32	o···o	o···o	PROPN
eurjchem-2484	271	33	contacts	contact	NOUN
eurjchem-2484	271	34	,	,	PUNCT
eurjchem-2484	271	35	respectively	respectively	ADV
eurjchem-2484	271	36	,	,	PUNCT
eurjchem-2484	271	37	are	be	AUX
eurjchem-2484	271	38	illustrated	illustrate	VERB
eurjchem-2484	271	39	in	in	ADP
eurjchem-2484	271	40	figure	figure	NOUN
eurjchem-2484	271	41	9	9	NUM
eurjchem-2484	271	42	together	together	ADV
eurjchem-2484	271	43	with	with	ADP
eurjchem-2484	271	44	their	their	PRON
eurjchem-2484	271	45	relative	relative	ADJ
eurjchem-2484	271	46	contributions	contribution	NOUN
eurjchem-2484	271	47	to	to	ADP
eurjchem-2484	271	48	the	the	DET
eurjchem-2484	271	49	hirshfeld	hirshfeld	PROPN
eurjchem-2484	271	50	surface	surface	NOUN
eurjchem-2484	271	51	.	.	PUNCT
eurjchem-2484	272	1	the	the	DET
eurjchem-2484	272	2	most	most	ADV
eurjchem-2484	272	3	prominent	prominent	ADJ
eurjchem-2484	272	4	interaction	interaction	NOUN
eurjchem-2484	272	5	corresponds	correspond	VERB
eurjchem-2484	272	6	to	to	ADP
eurjchem-2484	272	7	the	the	DET
eurjchem-2484	272	8	short	short	ADJ
eurjchem-2484	272	9	o···h	o···h	PROPN
eurjchem-2484	272	10	/	/	SYM
eurjchem-2484	272	11	h···o	h···o	PROPN
eurjchem-2484	272	12	contacts	contact	NOUN
eurjchem-2484	272	13	;	;	PUNCT
eurjchem-2484	272	14	they	they	PRON
eurjchem-2484	272	15	contribute	contribute	VERB
eurjchem-2484	272	16	41	41	NUM
eurjchem-2484	272	17	%	%	NOUN
eurjchem-2484	272	18	to	to	ADP
eurjchem-2484	272	19	the	the	DET
eurjchem-2484	272	20	overall	overall	ADJ
eurjchem-2484	272	21	surface	surface	NOUN
eurjchem-2484	272	22	contact	contact	NOUN
eurjchem-2484	272	23	and	and	CCONJ
eurjchem-2484	272	24	form	form	VERB
eurjchem-2484	272	25	a	a	DET
eurjchem-2484	272	26	pair	pair	NOUN
eurjchem-2484	272	27	of	of	ADP
eurjchem-2484	272	28	spikes	spike	NOUN
eurjchem-2484	272	29	(	(	PUNCT
eurjchem-2484	272	30	figure	figure	NOUN
eurjchem-2484	272	31	9b	9b	NUM
eurjchem-2484	272	32	)	)	PUNCT
eurjchem-2484	272	33	.	.	PUNCT
eurjchem-2484	273	1	they	they	PRON
eurjchem-2484	273	2	are	be	AUX
eurjchem-2484	273	3	due	due	ADJ
eurjchem-2484	273	4	to	to	ADP
eurjchem-2484	273	5	the	the	DET
eurjchem-2484	273	6	intermolecular	intermolecular	ADJ
eurjchem-2484	273	7	c	c	NOUN
eurjchem-2484	273	8	-	-	PUNCT
eurjchem-2484	273	9	h···o	h···o	NOUN
eurjchem-2484	273	10	/	/	SYM
eurjchem-2484	273	11	c	c	NOUN
eurjchem-2484	273	12	=	=	ADJ
eurjchem-2484	273	13	o···h	o···h	NOUN
eurjchem-2484	273	14	hydrogen	hydrogen	NOUN
eurjchem-2484	273	15	bond	bond	NOUN
eurjchem-2484	273	16	.	.	PUNCT
eurjchem-2484	274	1	h···h	h···h	PROPN
eurjchem-2484	274	2	contacts	contact	NOUN
eurjchem-2484	274	3	contributing	contribute	VERB
eurjchem-2484	274	4	28.4	28.4	NUM
eurjchem-2484	274	5	%	%	NOUN
eurjchem-2484	274	6	to	to	ADP
eurjchem-2484	274	7	the	the	DET
eurjchem-2484	274	8	overall	overall	ADJ
eurjchem-2484	274	9	surface	surface	NOUN
eurjchem-2484	274	10	are	be	AUX
eurjchem-2484	274	11	depicted	depict	VERB
eurjchem-2484	274	12	in	in	ADP
eurjchem-2484	274	13	figure	figure	NOUN
eurjchem-2484	274	14	9c	9c	NUM
eurjchem-2484	274	15	.	.	PUNCT
eurjchem-2484	275	1	the	the	DET
eurjchem-2484	275	2	presence	presence	NOUN
eurjchem-2484	275	3	of	of	ADP
eurjchem-2484	275	4	c	c	NOUN
eurjchem-2484	275	5	-	-	PUNCT
eurjchem-2484	275	6	h···π	h···π	PROPN
eurjchem-2484	275	7	interactions	interaction	NOUN
eurjchem-2484	275	8	gives	give	VERB
eurjchem-2484	275	9	rise	rise	NOUN
eurjchem-2484	275	10	to	to	ADP
eurjchem-2484	275	11	a	a	DET
eurjchem-2484	275	12	pair	pair	NOUN
eurjchem-2484	275	13	of	of	ADP
eurjchem-2484	275	14	characteristic	characteristic	ADJ
eurjchem-2484	275	15	wings	wing	NOUN
eurjchem-2484	275	16	in	in	ADP
eurjchem-2484	275	17	the	the	DET
eurjchem-2484	275	18	fingerprint	fingerprint	NOUN
eurjchem-2484	275	19	graph	graph	NOUN
eurjchem-2484	275	20	decomposed	decompose	VERB
eurjchem-2484	275	21	into	into	ADP
eurjchem-2484	275	22	h···c	h···c	PROPN
eurjchem-2484	275	23	/	/	SYM
eurjchem-2484	275	24	c···h	c···h	PROPN
eurjchem-2484	275	25	contacts	contact	NOUN
eurjchem-2484	275	26	(	(	PUNCT
eurjchem-2484	275	27	figure	figure	NOUN
eurjchem-2484	275	28	9d	9d	NUM
eurjchem-2484	275	29	)	)	PUNCT
eurjchem-2484	275	30	contributing	contribute	VERB
eurjchem-2484	275	31	18	18	NUM
eurjchem-2484	275	32	%	%	NOUN
eurjchem-2484	275	33	to	to	ADP
eurjchem-2484	275	34	the	the	DET
eurjchem-2484	275	35	hs	hs	PROPN
eurjchem-2484	275	36	.	.	PUNCT
eurjchem-2484	276	1	the	the	DET
eurjchem-2484	276	2	contributions	contribution	NOUN
eurjchem-2484	276	3	of	of	ADP
eurjchem-2484	276	4	other	other	ADJ
eurjchem-2484	276	5	contacts	contact	NOUN
eurjchem-2484	276	6	o···c	o···c	ADP
eurjchem-2484	276	7	/	/	SYM
eurjchem-2484	276	8	c···o	c···o	PROPN
eurjchem-2484	276	9	,	,	PUNCT
eurjchem-2484	276	10	c··c	c··c	NUM
eurjchem-2484	276	11	,	,	PUNCT
eurjchem-2484	276	12	and	and	CCONJ
eurjchem-2484	276	13	o···o	o···o	NOUN
eurjchem-2484	276	14	of	of	ADP
eurjchem-2484	276	15	6.5	6.5	NUM
eurjchem-2484	276	16	,	,	PUNCT
eurjchem-2484	276	17	3.6	3.6	NUM
eurjchem-2484	276	18	,	,	PUNCT
eurjchem-2484	276	19	and	and	CCONJ
eurjchem-2484	276	20	2.5	2.5	NUM
eurjchem-2484	276	21	%	%	NOUN
eurjchem-2484	276	22	,	,	PUNCT
eurjchem-2484	276	23	respectively	respectively	ADV
eurjchem-2484	276	24	,	,	PUNCT
eurjchem-2484	276	25	to	to	ADP
eurjchem-2484	276	26	the	the	DET
eurjchem-2484	276	27	hirshfeld	hirshfeld	PROPN
eurjchem-2484	276	28	surface	surface	NOUN
eurjchem-2484	276	29	are	be	AUX
eurjchem-2484	276	30	negligible	negligible	ADJ
eurjchem-2484	276	31	.	.	PUNCT
eurjchem-2484	277	1	two	two	NUM
eurjchem-2484	277	2	-	-	PUNCT
eurjchem-2484	277	3	dimensional	dimensional	ADJ
eurjchem-2484	277	4	finger	finger	NOUN
eurjchem-2484	277	5	print	print	NOUN
eurjchem-2484	277	6	plots	plot	NOUN
eurjchem-2484	277	7	of	of	ADP
eurjchem-2484	277	8	4	4	NUM
eurjchem-2484	277	9	-	-	PUNCT
eurjchem-2484	277	10	cah2po4	cah2po4	NOUN
eurjchem-2484	277	11	(	(	PUNCT
eurjchem-2484	277	12	reference	reference	NOUN
eurjchem-2484	277	13	[	[	X
eurjchem-2484	277	14	8	8	NUM
eurjchem-2484	277	15	]	]	X
eurjchem-2484	277	16	ccdc	ccdc	NOUN
eurjchem-2484	277	17	deposition	deposition	NOUN
eurjchem-2484	277	18	number	number	NOUN
eurjchem-2484	277	19	647348	647348	NUM
eurjchem-2484	277	20	)	)	PUNCT
eurjchem-2484	277	21	showing	show	VERB
eurjchem-2484	277	22	contributions	contribution	NOUN
eurjchem-2484	277	23	of	of	ADP
eurjchem-2484	277	24	(	(	PUNCT
eurjchem-2484	277	25	a	a	X
eurjchem-2484	277	26	)	)	PUNCT
eurjchem-2484	277	27	all	all	DET
eurjchem-2484	277	28	intermolecular	intermolecular	ADJ
eurjchem-2484	277	29	contacts	contact	NOUN
eurjchem-2484	277	30	and	and	CCONJ
eurjchem-2484	277	31	individual	individual	ADJ
eurjchem-2484	277	32	interactions	interaction	NOUN
eurjchem-2484	277	33	,	,	PUNCT
eurjchem-2484	277	34	(	(	PUNCT
eurjchem-2484	277	35	b	b	X
eurjchem-2484	277	36	)	)	PUNCT
eurjchem-2484	277	37	o···h	o···h	PROPN
eurjchem-2484	277	38	/	/	SYM
eurjchem-2484	277	39	h···o	h···o	PROPN
eurjchem-2484	277	40	(	(	PUNCT
eurjchem-2484	277	41	47.7	47.7	NUM
eurjchem-2484	277	42	%	%	NOUN
eurjchem-2484	277	43	)	)	PUNCT
eurjchem-2484	277	44	,	,	PUNCT
eurjchem-2484	277	45	(	(	PUNCT
eurjchem-2484	277	46	c	c	X
eurjchem-2484	277	47	)	)	PUNCT
eurjchem-2484	277	48	h···h	h···h	PROPN
eurjchem-2484	277	49	(	(	PUNCT
eurjchem-2484	277	50	28.9	28.9	NUM
eurjchem-2484	277	51	%	%	NOUN
eurjchem-2484	277	52	)	)	PUNCT
eurjchem-2484	278	1	(	(	PUNCT
eurjchem-2484	278	2	d	d	X
eurjchem-2484	278	3	)	)	PUNCT
eurjchem-2484	278	4	h···c	h···c	PROPN
eurjchem-2484	278	5	/	/	SYM
eurjchem-2484	278	6	c···h	c···h	PROPN
eurjchem-2484	278	7	(	(	PUNCT
eurjchem-2484	278	8	8.6	8.6	NUM
eurjchem-2484	278	9	%	%	NOUN
eurjchem-2484	278	10	)	)	PUNCT
eurjchem-2484	278	11	(	(	PUNCT
eurjchem-2484	278	12	e	e	NOUN
eurjchem-2484	278	13	)	)	PUNCT
eurjchem-2484	278	14	o···c	o···c	PROPN
eurjchem-2484	278	15	/	/	SYM
eurjchem-2484	278	16	c···o	c···o	PROPN
eurjchem-2484	278	17	(	(	PUNCT
eurjchem-2484	278	18	8.9	8.9	NUM
eurjchem-2484	278	19	%	%	NOUN
eurjchem-2484	278	20	)	)	PUNCT
eurjchem-2484	278	21	and	and	CCONJ
eurjchem-2484	278	22	(	(	PUNCT
eurjchem-2484	278	23	f	f	X
eurjchem-2484	278	24	)	)	PUNCT
eurjchem-2484	278	25	c···c	c···c	PROPN
eurjchem-2484	278	26	(	(	PUNCT
eurjchem-2484	278	27	5.9	5.9	NUM
eurjchem-2484	278	28	%	%	NOUN
eurjchem-2484	278	29	)	)	PUNCT
eurjchem-2484	278	30	are	be	AUX
eurjchem-2484	278	31	shown	show	VERB
eurjchem-2484	278	32	in	in	ADP
eurjchem-2484	278	33	figure	figure	NOUN
eurjchem-2484	278	34	10	10	NUM
eurjchem-2484	278	35	.	.	PUNCT
eurjchem-2484	279	1	when	when	SCONJ
eurjchem-2484	279	2	comparing	compare	VERB
eurjchem-2484	279	3	the	the	DET
eurjchem-2484	279	4	individual	individual	ADJ
eurjchem-2484	279	5	interactions	interaction	NOUN
eurjchem-2484	279	6	of	of	ADP
eurjchem-2484	279	7	4	4	NUM
eurjchem-2484	279	8	-	-	PUNCT
eurjchem-2484	279	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	279	10	with	with	ADP
eurjchem-2484	279	11	those	those	PRON
eurjchem-2484	279	12	of	of	ADP
eurjchem-2484	279	13	4	4	NUM
eurjchem-2484	279	14	-	-	PUNCT
eurjchem-2484	279	15	cah2po4	cah2po4	NOUN
eurjchem-2484	279	16	as	as	SCONJ
eurjchem-2484	279	17	accepted	accept	VERB
eurjchem-2484	279	18	,	,	PUNCT
eurjchem-2484	279	19	both	both	PRON
eurjchem-2484	279	20	show	show	VERB
eurjchem-2484	279	21	a	a	DET
eurjchem-2484	279	22	similar	similar	ADJ
eurjchem-2484	279	23	type	type	NOUN
eurjchem-2484	279	24	of	of	ADP
eurjchem-2484	279	25	interactions	interaction	NOUN
eurjchem-2484	279	26	(	(	PUNCT
eurjchem-2484	279	27	figure	figure	NOUN
eurjchem-2484	279	28	11	11	NUM
eurjchem-2484	279	29	)	)	PUNCT
eurjchem-2484	279	30	.	.	PUNCT
eurjchem-2484	280	1	however	however	ADV
eurjchem-2484	280	2	,	,	PUNCT
eurjchem-2484	280	3	the	the	DET
eurjchem-2484	280	4	values	value	NOUN
eurjchem-2484	280	5	were	be	AUX
eurjchem-2484	280	6	different	different	ADJ
eurjchem-2484	280	7	,	,	PUNCT
eurjchem-2484	280	8	indicating	indicate	VERB
eurjchem-2484	280	9	the	the	DET
eurjchem-2484	280	10	difference	difference	NOUN
eurjchem-2484	280	11	in	in	ADP
eurjchem-2484	280	12	intermolecular	intermolecular	ADJ
eurjchem-2484	280	13	interaction	interaction	NOUN
eurjchem-2484	280	14	(	(	PUNCT
eurjchem-2484	280	15	figure	figure	NOUN
eurjchem-2484	280	16	11	11	NUM
eurjchem-2484	280	17	)	)	PUNCT
eurjchem-2484	280	18	.	.	PUNCT
eurjchem-2484	281	1	3.5	3.5	NUM
eurjchem-2484	281	2	.	.	PUNCT
eurjchem-2484	282	1	energy	energy	NOUN
eurjchem-2484	282	2	framework	framework	NOUN
eurjchem-2484	282	3	analysis	analysis	NOUN
eurjchem-2484	282	4	the	the	DET
eurjchem-2484	282	5	3d	3d	PROPN
eurjchem-2484	282	6	topology	topology	NOUN
eurjchem-2484	282	7	of	of	ADP
eurjchem-2484	282	8	the	the	DET
eurjchem-2484	282	9	strong	strong	ADJ
eurjchem-2484	282	10	charge	charge	NOUN
eurjchem-2484	282	11	-	-	PUNCT
eurjchem-2484	282	12	assisted	assist	VERB
eurjchem-2484	282	13	hydrogen	hydrogen	NOUN
eurjchem-2484	282	14	bonds	bond	NOUN
eurjchem-2484	282	15	in	in	ADP
eurjchem-2484	282	16	4	4	NUM
eurjchem-2484	282	17	-	-	PUNCT
eurjchem-2484	282	18	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	282	19	was	be	AUX
eurjchem-2484	282	20	obtained	obtain	VERB
eurjchem-2484	282	21	by	by	ADP
eurjchem-2484	282	22	plotting	plot	VERB
eurjchem-2484	282	23	the	the	DET
eurjchem-2484	282	24	energy	energy	NOUN
eurjchem-2484	282	25	framework	framework	NOUN
eurjchem-2484	282	26	.	.	PUNCT
eurjchem-2484	283	1	to	to	PART
eurjchem-2484	283	2	obtain	obtain	VERB
eurjchem-2484	283	3	the	the	DET
eurjchem-2484	283	4	3d	3d	PROPN
eurjchem-2484	283	5	topology	topology	NOUN
eurjchem-2484	283	6	,	,	PUNCT
eurjchem-2484	283	7	the	the	DET
eurjchem-2484	283	8	interaction	interaction	NOUN
eurjchem-2484	283	9	energies	energy	NOUN
eurjchem-2484	283	10	obtained	obtain	VERB
eurjchem-2484	283	11	are	be	AUX
eurjchem-2484	283	12	used	use	VERB
eurjchem-2484	283	13	to	to	PART
eurjchem-2484	283	14	construct	construct	VERB
eurjchem-2484	283	15	representative	representative	ADJ
eurjchem-2484	283	16	cylinders	cylinder	NOUN
eurjchem-2484	283	17	that	that	PRON
eurjchem-2484	283	18	connect	connect	VERB
eurjchem-2484	283	19	the	the	DET
eurjchem-2484	283	20	molecules	molecule	NOUN
eurjchem-2484	283	21	,	,	PUNCT
eurjchem-2484	283	22	where	where	SCONJ
eurjchem-2484	283	23	the	the	DET
eurjchem-2484	283	24	thickness	thickness	NOUN
eurjchem-2484	283	25	of	of	ADP
eurjchem-2484	283	26	the	the	DET
eurjchem-2484	283	27	cylinders	cylinder	NOUN
eurjchem-2484	283	28	is	be	AUX
eurjchem-2484	283	29	set	set	VERB
eurjchem-2484	283	30	proportional	proportional	ADJ
eurjchem-2484	283	31	to	to	ADP
eurjchem-2484	283	32	the	the	DET
eurjchem-2484	283	33	values	value	NOUN
eurjchem-2484	283	34	of	of	ADP
eurjchem-2484	283	35	the	the	DET
eurjchem-2484	283	36	interaction	interaction	NOUN
eurjchem-2484	283	37	energy	energy	NOUN
eurjchem-2484	283	38	.	.	PUNCT
eurjchem-2484	284	1	the	the	DET
eurjchem-2484	284	2	resulting	result	VERB
eurjchem-2484	284	3	3d	3d	NUM
eurjchem-2484	284	4	frameworks	framework	NOUN
eurjchem-2484	284	5	or	or	CCONJ
eurjchem-2484	284	6	topologies	topology	NOUN
eurjchem-2484	284	7	of	of	ADP
eurjchem-2484	284	8	interactions	interaction	NOUN
eurjchem-2484	284	9	are	be	AUX
eurjchem-2484	284	10	termed	term	VERB
eurjchem-2484	284	11	energy	energy	NOUN
eurjchem-2484	284	12	frameworks	framework	NOUN
eurjchem-2484	284	13	[	[	X
eurjchem-2484	284	14	14	14	NUM
eurjchem-2484	284	15	]	]	PUNCT
eurjchem-2484	284	16	.	.	PUNCT
eurjchem-2484	285	1	therefore	therefore	ADV
eurjchem-2484	285	2	,	,	PUNCT
eurjchem-2484	285	3	the	the	DET
eurjchem-2484	285	4	energy	energy	NOUN
eurjchem-2484	285	5	frameworks	framework	NOUN
eurjchem-2484	285	6	allow	allow	VERB
eurjchem-2484	285	7	us	we	PRON
eurjchem-2484	285	8	to	to	PART
eurjchem-2484	285	9	examine	examine	VERB
eurjchem-2484	285	10	‘	'	PUNCT
eurjchem-2484	285	11	cooperative	cooperative	ADJ
eurjchem-2484	285	12	effects	effect	NOUN
eurjchem-2484	285	13	’	'	PUNCT
eurjchem-2484	285	14	in	in	ADP
eurjchem-2484	285	15	intermolecular	intermolecular	ADJ
eurjchem-2484	285	16	interactions	interaction	NOUN
eurjchem-2484	285	17	across	across	ADP
eurjchem-2484	285	18	the	the	DET
eurjchem-2484	285	19	crystal	crystal	NOUN
eurjchem-2484	285	20	[	[	X
eurjchem-2484	285	21	13,14	13,14	NUM
eurjchem-2484	285	22	]	]	PUNCT
eurjchem-2484	285	23	.	.	PUNCT
eurjchem-2484	286	1	the	the	DET
eurjchem-2484	286	2	energy	energy	NOUN
eurjchem-2484	286	3	frameworks	framework	NOUN
eurjchem-2484	286	4	allow	allow	VERB
eurjchem-2484	286	5	one	one	PRON
eurjchem-2484	286	6	to	to	PART
eurjchem-2484	286	7	find	find	VERB
eurjchem-2484	286	8	the	the	DET
eurjchem-2484	286	9	electrostatic	electrostatic	ADJ
eurjchem-2484	286	10	(	(	PUNCT
eurjchem-2484	286	11	red	red	ADJ
eurjchem-2484	286	12	)	)	PUNCT
eurjchem-2484	286	13	,	,	PUNCT
eurjchem-2484	286	14	dispersion	dispersion	NOUN
eurjchem-2484	286	15	(	(	PUNCT
eurjchem-2484	286	16	green	green	NOUN
eurjchem-2484	286	17	)	)	PUNCT
eurjchem-2484	286	18	and	and	CCONJ
eurjchem-2484	286	19	total	total	ADJ
eurjchem-2484	286	20	energy	energy	NOUN
eurjchem-2484	286	21	(	(	PUNCT
eurjchem-2484	286	22	blue	blue	ADJ
eurjchem-2484	286	23	for	for	ADP
eurjchem-2484	286	24	binding	bind	VERB
eurjchem-2484	286	25	,	,	PUNCT
eurjchem-2484	286	26	gold	gold	NOUN
eurjchem-2484	286	27	for	for	ADP
eurjchem-2484	286	28	non	non	ADJ
eurjchem-2484	286	29	-	-	ADJ
eurjchem-2484	286	30	binding	binding	ADJ
eurjchem-2484	286	31	)	)	PUNCT
eurjchem-2484	286	32	terms	term	NOUN
eurjchem-2484	286	33	separately	separately	ADV
eurjchem-2484	286	34	.	.	PUNCT
eurjchem-2484	287	1	the	the	DET
eurjchem-2484	287	2	total	total	ADJ
eurjchem-2484	287	3	intermolecular	intermolecular	ADJ
eurjchem-2484	287	4	interaction	interaction	NOUN
eurjchem-2484	287	5	energy	energy	NOUN
eurjchem-2484	287	6	(	(	PUNCT
eurjchem-2484	287	7	etot	etot	VERB
eurjchem-2484	287	8	)	)	PUNCT
eurjchem-2484	287	9	given	give	VERB
eurjchem-2484	287	10	is	be	AUX
eurjchem-2484	287	11	the	the	DET
eurjchem-2484	287	12	sum	sum	NOUN
eurjchem-2484	287	13	of	of	ADP
eurjchem-2484	287	14	four	four	NUM
eurjchem-2484	287	15	energy	energy	NOUN
eurjchem-2484	287	16	terms	term	NOUN
eurjchem-2484	287	17	:	:	PUNCT
eurjchem-2484	287	18	electrostatic	electrostatic	ADJ
eurjchem-2484	287	19	(	(	PUNCT
eurjchem-2484	287	20	eele	eele	PROPN
eurjchem-2484	287	21	,	,	PUNCT
eurjchem-2484	287	22	red	red	ADJ
eurjchem-2484	287	23	)	)	PUNCT
eurjchem-2484	287	24	,	,	PUNCT
eurjchem-2484	287	25	polarization	polarization	NOUN
eurjchem-2484	287	26	(	(	PUNCT
eurjchem-2484	287	27	epol	epol	NOUN
eurjchem-2484	287	28	)	)	PUNCT
eurjchem-2484	287	29	,	,	PUNCT
eurjchem-2484	287	30	dispersion	dispersion	NOUN
eurjchem-2484	287	31	(	(	PUNCT
eurjchem-2484	287	32	edisp	edisp	NOUN
eurjchem-2484	287	33	,	,	PUNCT
eurjchem-2484	287	34	green	green	ADJ
eurjchem-2484	287	35	)	)	PUNCT
eurjchem-2484	287	36	and	and	CCONJ
eurjchem-2484	287	37	exchange	exchange	NOUN
eurjchem-2484	287	38	repulsion	repulsion	NOUN
eurjchem-2484	287	39	(	(	PUNCT
eurjchem-2484	287	40	erep	erep	NOUN
eurjchem-2484	287	41	)	)	PUNCT
eurjchem-2484	287	42	with	with	ADP
eurjchem-2484	287	43	scale	scale	NOUN
eurjchem-2484	287	44	factors	factor	NOUN
eurjchem-2484	287	45	of	of	ADP
eurjchem-2484	287	46	1.019	1.019	NUM
eurjchem-2484	287	47	,	,	PUNCT
eurjchem-2484	287	48	0.651	0.651	NUM
eurjchem-2484	287	49	,	,	PUNCT
eurjchem-2484	287	50	0.901	0.901	NUM
eurjchem-2484	287	51	and	and	CCONJ
eurjchem-2484	287	52	0.811	0.811	NUM
eurjchem-2484	287	53	,	,	PUNCT
eurjchem-2484	287	54	respectively	respectively	ADV
eurjchem-2484	287	55	(	(	PUNCT
eurjchem-2484	287	56	for	for	ADP
eurjchem-2484	287	57	ce	ce	PROPN
eurjchem-2484	287	58	-	-	PUNCT
eurjchem-2484	287	59	hf/3	hf/3	PROPN
eurjchem-2484	287	60	-	-	PUNCT
eurjchem-2484	287	61	21	21	NUM
eurjchem-2484	287	62	g	g	NOUN
eurjchem-2484	287	63	quantum	quantum	ADJ
eurjchem-2484	287	64	level	level	NOUN
eurjchem-2484	287	65	of	of	ADP
eurjchem-2484	287	66	theory	theory	NOUN
eurjchem-2484	287	67	)	)	PUNCT
eurjchem-2484	288	1	[	[	X
eurjchem-2484	288	2	18,19	18,19	NUM
eurjchem-2484	288	3	]	]	PUNCT
eurjchem-2484	288	4	.	.	PUNCT
eurjchem-2484	289	1	10	10	NUM
eurjchem-2484	289	2	lata	lata	PROPN
eurjchem-2484	289	3	panicker	panicker	PROPN
eurjchem-2484	289	4	/	/	SYM
eurjchem-2484	289	5	european	european	PROPN
eurjchem-2484	289	6	journal	journal	PROPN
eurjchem-2484	289	7	of	of	ADP
eurjchem-2484	289	8	chemistry	chemistry	NOUN
eurjchem-2484	289	9	15	15	NUM
eurjchem-2484	289	10	(	(	PUNCT
eurjchem-2484	289	11	1	1	NUM
eurjchem-2484	289	12	)	)	PUNCT
eurjchem-2484	289	13	(	(	PUNCT
eurjchem-2484	289	14	2024	2024	NUM
eurjchem-2484	289	15	)	)	PUNCT
eurjchem-2484	289	16	1	1	NUM
eurjchem-2484	289	17	-	-	SYM
eurjchem-2484	289	18	16	16	NUM
eurjchem-2484	289	19	2024	2024	NUM
eurjchem-2484	289	20	–	–	PUNCT
eurjchem-2484	289	21	european	european	ADJ
eurjchem-2484	289	22	journal	journal	NOUN
eurjchem-2484	289	23	of	of	ADP
eurjchem-2484	289	24	chemistry	chemistry	NOUN
eurjchem-2484	289	25	–	–	PUNCT
eurjchem-2484	289	26	cc	cc	NOUN
eurjchem-2484	289	27	by	by	ADP
eurjchem-2484	289	28	nc	nc	PROPN
eurjchem-2484	289	29	–	–	PUNCT
eurjchem-2484	289	30	doi	doi	PROPN
eurjchem-2484	289	31	:	:	PUNCT
eurjchem-2484	289	32	10.5155	10.5155	NUM
eurjchem-2484	289	33	/	/	SYM
eurjchem-2484	289	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	289	35	-	-	SYM
eurjchem-2484	289	36	16.2484	16.2484	NUM
eurjchem-2484	289	37	figure	figure	NOUN
eurjchem-2484	289	38	10	10	NUM
eurjchem-2484	289	39	.	.	PUNCT
eurjchem-2484	289	40	two	two	NUM
eurjchem-2484	289	41	-	-	PUNCT
eurjchem-2484	289	42	dimensional	dimensional	ADJ
eurjchem-2484	289	43	fingerprint	fingerprint	NOUN
eurjchem-2484	289	44	graphs	graph	NOUN
eurjchem-2484	289	45	of	of	ADP
eurjchem-2484	289	46	4	4	NUM
eurjchem-2484	289	47	-	-	PUNCT
eurjchem-2484	289	48	cah2po4	cah2po4	NOUN
eurjchem-2484	289	49	(	(	PUNCT
eurjchem-2484	289	50	reference	reference	NOUN
eurjchem-2484	289	51	[	[	X
eurjchem-2484	289	52	8	8	NUM
eurjchem-2484	289	53	]	]	X
eurjchem-2484	289	54	ccdc	ccdc	NOUN
eurjchem-2484	289	55	deposition	deposition	NOUN
eurjchem-2484	289	56	number	number	NOUN
eurjchem-2484	289	57	647348	647348	NUM
eurjchem-2484	289	58	)	)	PUNCT
eurjchem-2484	289	59	showing	show	VERB
eurjchem-2484	289	60	contributions	contribution	NOUN
eurjchem-2484	289	61	of	of	ADP
eurjchem-2484	289	62	(	(	PUNCT
eurjchem-2484	289	63	a	a	X
eurjchem-2484	289	64	)	)	PUNCT
eurjchem-2484	289	65	all	all	DET
eurjchem-2484	289	66	intermolecular	intermolecular	ADJ
eurjchem-2484	289	67	contacts	contact	NOUN
eurjchem-2484	289	68	and	and	CCONJ
eurjchem-2484	289	69	individual	individual	ADJ
eurjchem-2484	289	70	interactions	interaction	NOUN
eurjchem-2484	289	71	:	:	PUNCT
eurjchem-2484	289	72	(	(	PUNCT
eurjchem-2484	289	73	b	b	X
eurjchem-2484	289	74	)	)	PUNCT
eurjchem-2484	289	75	o···h	o···h	PROPN
eurjchem-2484	289	76	/	/	SYM
eurjchem-2484	289	77	h···o	h···o	PROPN
eurjchem-2484	289	78	,	,	PUNCT
eurjchem-2484	289	79	(	(	PUNCT
eurjchem-2484	289	80	c	c	X
eurjchem-2484	289	81	)	)	PUNCT
eurjchem-2484	289	82	h···h	h···h	PROPN
eurjchem-2484	289	83	,	,	PUNCT
eurjchem-2484	289	84	(	(	PUNCT
eurjchem-2484	289	85	d	d	X
eurjchem-2484	289	86	)	)	PUNCT
eurjchem-2484	289	87	h···c	h···c	PROPN
eurjchem-2484	289	88	/	/	SYM
eurjchem-2484	289	89	c···h	c···h	PROPN
eurjchem-2484	289	90	,	,	PUNCT
eurjchem-2484	289	91	(	(	PUNCT
eurjchem-2484	289	92	e	e	NOUN
eurjchem-2484	289	93	)	)	PUNCT
eurjchem-2484	289	94	o···c	o···c	PROPN
eurjchem-2484	289	95	/	/	SYM
eurjchem-2484	289	96	c···o	c···o	PROPN
eurjchem-2484	289	97	and	and	CCONJ
eurjchem-2484	289	98	(	(	PUNCT
eurjchem-2484	289	99	f	f	X
eurjchem-2484	289	100	)	)	PUNCT
eurjchem-2484	289	101	c···c	c···c	PROPN
eurjchem-2484	289	102	.	.	PUNCT
eurjchem-2484	290	1	the	the	DET
eurjchem-2484	290	2	outline	outline	NOUN
eurjchem-2484	290	3	of	of	ADP
eurjchem-2484	290	4	the	the	DET
eurjchem-2484	290	5	full	full	ADJ
eurjchem-2484	290	6	fingerprint	fingerprint	NOUN
eurjchem-2484	290	7	plot	plot	NOUN
eurjchem-2484	290	8	is	be	AUX
eurjchem-2484	290	9	shown	show	VERB
eurjchem-2484	290	10	in	in	ADP
eurjchem-2484	290	11	grey	grey	PROPN
eurjchem-2484	290	12	.	.	PUNCT
eurjchem-2484	291	1	hf	hf	PROPN
eurjchem-2484	291	2	surfaces	surface	NOUN
eurjchem-2484	291	3	highlight	highlight	VERB
eurjchem-2484	291	4	the	the	DET
eurjchem-2484	291	5	relevant	relevant	ADJ
eurjchem-2484	291	6	dnorm	dnorm	NOUN
eurjchem-2484	291	7	surface	surface	NOUN
eurjchem-2484	291	8	patches	patch	NOUN
eurjchem-2484	291	9	associated	associate	VERB
eurjchem-2484	291	10	with	with	ADP
eurjchem-2484	291	11	specific	specific	ADJ
eurjchem-2484	291	12	intermolecular	intermolecular	ADJ
eurjchem-2484	291	13	contacts	contact	NOUN
eurjchem-2484	291	14	.	.	PUNCT
eurjchem-2484	292	1	the	the	DET
eurjchem-2484	292	2	percentage	percentage	NOUN
eurjchem-2484	292	3	contribution	contribution	NOUN
eurjchem-2484	292	4	is	be	AUX
eurjchem-2484	292	5	specified	specify	VERB
eurjchem-2484	292	6	for	for	ADP
eurjchem-2484	292	7	each	each	DET
eurjchem-2484	292	8	contact	contact	NOUN
eurjchem-2484	292	9	.	.	PUNCT
eurjchem-2484	293	1	figure	figure	NOUN
eurjchem-2484	293	2	11	11	NUM
eurjchem-2484	293	3	.	.	PUNCT
eurjchem-2484	294	1	percentage	percentage	NOUN
eurjchem-2484	294	2	contributions	contribution	NOUN
eurjchem-2484	294	3	to	to	ADP
eurjchem-2484	294	4	the	the	DET
eurjchem-2484	294	5	hirshfeld	hirshfeld	PROPN
eurjchem-2484	294	6	surface	surface	PROPN
eurjchem-2484	294	7	area	area	NOUN
eurjchem-2484	294	8	of	of	ADP
eurjchem-2484	294	9	various	various	ADJ
eurjchem-2484	294	10	close	close	ADJ
eurjchem-2484	294	11	intermolecular	intermolecular	ADJ
eurjchem-2484	294	12	contacts	contact	NOUN
eurjchem-2484	294	13	for	for	ADP
eurjchem-2484	294	14	4	4	NUM
eurjchem-2484	294	15	-	-	PUNCT
eurjchem-2484	294	16	cah2po4·h2o	cah2po4·h2o	PROPN
eurjchem-2484	294	17	(	(	PUNCT
eurjchem-2484	294	18	red	red	ADJ
eurjchem-2484	294	19	)	)	PUNCT
eurjchem-2484	294	20	and	and	CCONJ
eurjchem-2484	294	21	4	4	NUM
eurjchem-2484	294	22	-	-	PUNCT
eurjchem-2484	294	23	cah2po4(blue	cah2po4(blue	NOUN
eurjchem-2484	294	24	)	)	PUNCT
eurjchem-2484	295	1	[	[	X
eurjchem-2484	295	2	8	8	NUM
eurjchem-2484	295	3	]	]	PUNCT
eurjchem-2484	295	4	.	.	PUNCT
eurjchem-2484	296	1	the	the	DET
eurjchem-2484	296	2	relative	relative	ADJ
eurjchem-2484	296	3	strengths	strength	NOUN
eurjchem-2484	296	4	in	in	ADP
eurjchem-2484	296	5	the	the	DET
eurjchem-2484	296	6	interaction	interaction	NOUN
eurjchem-2484	296	7	energies	energy	NOUN
eurjchem-2484	296	8	in	in	ADP
eurjchem-2484	296	9	the	the	DET
eurjchem-2484	296	10	individual	individual	ADJ
eurjchem-2484	296	11	directions	direction	NOUN
eurjchem-2484	296	12	of	of	ADP
eurjchem-2484	296	13	4	4	NUM
eurjchem-2484	296	14	-	-	PUNCT
eurjchem-2484	296	15	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	296	16	are	be	AUX
eurjchem-2484	296	17	represented	represent	VERB
eurjchem-2484	296	18	by	by	ADP
eurjchem-2484	296	19	cylinder	cylinder	NOUN
eurjchem-2484	296	20	-	-	PUNCT
eurjchem-2484	296	21	shaped	shape	VERB
eurjchem-2484	296	22	energy	energy	NOUN
eurjchem-2484	296	23	frameworks	framework	NOUN
eurjchem-2484	296	24	(	(	PUNCT
eurjchem-2484	296	25	figure	figure	NOUN
eurjchem-2484	296	26	12a	12a	NOUN
eurjchem-2484	296	27	-	-	PUNCT
eurjchem-2484	296	28	c	c	NOUN
eurjchem-2484	296	29	)	)	PUNCT
eurjchem-2484	296	30	.	.	PUNCT
eurjchem-2484	297	1	in	in	ADP
eurjchem-2484	297	2	4cah2po4·h2o	4cah2po4·h2o	NUM
eurjchem-2484	297	3	crystals	crystal	NOUN
eurjchem-2484	297	4	,	,	PUNCT
eurjchem-2484	297	5	the	the	DET
eurjchem-2484	297	6	intermolecular	intermolecular	ADJ
eurjchem-2484	297	7	packing	packing	NOUN
eurjchem-2484	297	8	is	be	AUX
eurjchem-2484	297	9	mainly	mainly	ADV
eurjchem-2484	297	10	stabilized	stabilize	VERB
eurjchem-2484	297	11	by	by	ADP
eurjchem-2484	297	12	the	the	DET
eurjchem-2484	297	13	anion	anion	NOUN
eurjchem-2484	297	14	cation	cation	NOUN
eurjchem-2484	297	15	coulombic	coulombic	ADJ
eurjchem-2484	297	16	attraction	attraction	NOUN
eurjchem-2484	297	17	,	,	PUNCT
eurjchem-2484	297	18	which	which	PRON
eurjchem-2484	297	19	is	be	AUX
eurjchem-2484	297	20	obvious	obvious	ADJ
eurjchem-2484	297	21	from	from	ADP
eurjchem-2484	297	22	unusually	unusually	ADV
eurjchem-2484	297	23	high	high	ADJ
eurjchem-2484	297	24	values	value	NOUN
eurjchem-2484	297	25	of	of	ADP
eurjchem-2484	297	26	interaction	interaction	NOUN
eurjchem-2484	297	27	energies	energy	NOUN
eurjchem-2484	297	28	ranging	range	VERB
eurjchem-2484	297	29	from	from	ADP
eurjchem-2484	297	30	-200	-200	PRON
eurjchem-2484	297	31	to	to	ADP
eurjchem-2484	297	32	-800	-800	PROPN
eurjchem-2484	297	33	kj	kj	PROPN
eurjchem-2484	297	34	/	/	SYM
eurjchem-2484	297	35	mol	mol	PROPN
eurjchem-2484	297	36	.	.	PUNCT
eurjchem-2484	298	1	this	this	PRON
eurjchem-2484	298	2	is	be	AUX
eurjchem-2484	298	3	evident	evident	ADJ
eurjchem-2484	298	4	from	from	ADP
eurjchem-2484	298	5	the	the	DET
eurjchem-2484	298	6	predominant	predominant	ADJ
eurjchem-2484	298	7	electrostatic	electrostatic	ADJ
eurjchem-2484	298	8	contribution	contribution	NOUN
eurjchem-2484	298	9	compared	compare	VERB
eurjchem-2484	298	10	to	to	ADP
eurjchem-2484	298	11	the	the	DET
eurjchem-2484	298	12	minor	minor	ADJ
eurjchem-2484	298	13	contribution	contribution	NOUN
eurjchem-2484	298	14	of	of	ADP
eurjchem-2484	298	15	dispersion	dispersion	NOUN
eurjchem-2484	298	16	forces	force	NOUN
eurjchem-2484	298	17	in	in	ADP
eurjchem-2484	298	18	the	the	DET
eurjchem-2484	298	19	energy	energy	NOUN
eurjchem-2484	298	20	framework	framework	NOUN
eurjchem-2484	298	21	of	of	ADP
eurjchem-2484	298	22	the	the	DET
eurjchem-2484	298	23	crystals	crystal	NOUN
eurjchem-2484	298	24	(	(	PUNCT
eurjchem-2484	298	25	figure	figure	NOUN
eurjchem-2484	298	26	12	12	NUM
eurjchem-2484	298	27	)	)	PUNCT
eurjchem-2484	298	28	.	.	PUNCT
eurjchem-2484	299	1	although	although	SCONJ
eurjchem-2484	299	2	hydrogen	hydrogen	NOUN
eurjchem-2484	299	3	-	-	PUNCT
eurjchem-2484	299	4	bonded	bond	VERB
eurjchem-2484	299	5	organic	organic	ADJ
eurjchem-2484	299	6	framework	framework	NOUN
eurjchem-2484	299	7	structure	structure	NOUN
eurjchem-2484	299	8	,	,	PUNCT
eurjchem-2484	299	9	as	as	SCONJ
eurjchem-2484	299	10	demonstrated	demonstrate	VERB
eurjchem-2484	299	11	through	through	ADP
eurjchem-2484	299	12	the	the	DET
eurjchem-2484	299	13	electrostatic	electrostatic	ADJ
eurjchem-2484	299	14	framework	framework	NOUN
eurjchem-2484	299	15	,	,	PUNCT
eurjchem-2484	299	16	we	we	PRON
eurjchem-2484	299	17	can	can	AUX
eurjchem-2484	299	18	see	see	VERB
eurjchem-2484	299	19	a	a	DET
eurjchem-2484	299	20	tight	tight	ADJ
eurjchem-2484	299	21	cohesive	cohesive	ADJ
eurjchem-2484	299	22	framework	framework	NOUN
eurjchem-2484	299	23	of	of	ADP
eurjchem-2484	299	24	dispersion	dispersion	NOUN
eurjchem-2484	299	25	interactions	interaction	NOUN
eurjchem-2484	299	26	which	which	PRON
eurjchem-2484	299	27	also	also	ADV
eurjchem-2484	299	28	underpin	underpin	VERB
eurjchem-2484	299	29	the	the	DET
eurjchem-2484	299	30	structure	structure	NOUN
eurjchem-2484	299	31	of	of	ADP
eurjchem-2484	299	32	both	both	DET
eurjchem-2484	299	33	crystals	crystal	NOUN
eurjchem-2484	299	34	.	.	PUNCT
eurjchem-2484	300	1	a	a	DET
eurjchem-2484	300	2	similar	similar	ADJ
eurjchem-2484	300	3	type	type	NOUN
eurjchem-2484	300	4	of	of	ADP
eurjchem-2484	300	5	3d	3d	PROPN
eurjchem-2484	300	6	topology	topology	NOUN
eurjchem-2484	300	7	was	be	AUX
eurjchem-2484	300	8	observed	observe	VERB
eurjchem-2484	300	9	in	in	ADP
eurjchem-2484	300	10	4carboxyanilinium	4carboxyanilinium	NUM
eurjchem-2484	300	11	phosphite	phosphite	NOUN
eurjchem-2484	300	12	,	,	PUNCT
eurjchem-2484	300	13	bis(4	bis(4	NOUN
eurjchem-2484	300	14	-	-	PUNCT
eurjchem-2484	300	15	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	300	16	)	)	PUNCT
eurjchem-2484	300	17	sulfate	sulfate	NOUN
eurjchem-2484	300	18	,	,	PUNCT
eurjchem-2484	300	19	bis(4	bis(4	NOUN
eurjchem-2484	300	20	-	-	PUNCT
eurjchem-2484	300	21	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	300	22	)	)	PUNCT
eurjchem-2484	300	23	selenate	selenate	NOUN
eurjchem-2484	300	24	trihydrate	trihydrate	NOUN
eurjchem-2484	300	25	,	,	PUNCT
eurjchem-2484	300	26	and	and	CCONJ
eurjchem-2484	300	27	bis(4carboxyanilinium	bis(4carboxyanilinium	NOUN
eurjchem-2484	300	28	)	)	PUNCT
eurjchem-2484	300	29	selenate	selenate	NOUN
eurjchem-2484	300	30	[	[	X
eurjchem-2484	300	31	36	36	NUM
eurjchem-2484	300	32	-	-	SYM
eurjchem-2484	300	33	38	38	NUM
eurjchem-2484	300	34	]	]	PUNCT
eurjchem-2484	300	35	.	.	PUNCT
eurjchem-2484	301	1	3d	3d	NUM
eurjchem-2484	301	2	topology	topology	NOUN
eurjchem-2484	301	3	plots	plot	NOUN
eurjchem-2484	301	4	of	of	ADP
eurjchem-2484	301	5	4cah2po4	4cah2po4	PROPN
eurjchem-2484	301	6	(	(	PUNCT
eurjchem-2484	301	7	reference	reference	NOUN
eurjchem-2484	301	8	[	[	X
eurjchem-2484	301	9	8	8	NUM
eurjchem-2484	301	10	]	]	X
eurjchem-2484	301	11	ccdc	ccdc	NOUN
eurjchem-2484	301	12	deposition	deposition	NOUN
eurjchem-2484	301	13	number	number	NOUN
eurjchem-2484	301	14	647348	647348	NUM
eurjchem-2484	301	15	)	)	PUNCT
eurjchem-2484	301	16	showing	show	VERB
eurjchem-2484	301	17	electrostatic	electrostatic	ADJ
eurjchem-2484	301	18	(	(	PUNCT
eurjchem-2484	301	19	red	red	ADJ
eurjchem-2484	301	20	)	)	PUNCT
eurjchem-2484	301	21	,	,	PUNCT
eurjchem-2484	301	22	dispersion	dispersion	NOUN
eurjchem-2484	301	23	(	(	PUNCT
eurjchem-2484	301	24	green	green	NOUN
eurjchem-2484	301	25	)	)	PUNCT
eurjchem-2484	301	26	and	and	CCONJ
eurjchem-2484	301	27	total	total	ADJ
eurjchem-2484	301	28	energy	energy	NOUN
eurjchem-2484	301	29	(	(	PUNCT
eurjchem-2484	301	30	blue	blue	ADJ
eurjchem-2484	301	31	for	for	ADP
eurjchem-2484	301	32	binding	bind	VERB
eurjchem-2484	301	33	,	,	PUNCT
eurjchem-2484	301	34	gold	gold	NOUN
eurjchem-2484	301	35	for	for	ADP
eurjchem-2484	301	36	non	non	ADJ
eurjchem-2484	301	37	-	-	ADJ
eurjchem-2484	301	38	binding	binding	ADJ
eurjchem-2484	301	39	)	)	PUNCT
eurjchem-2484	301	40	contributions	contribution	NOUN
eurjchem-2484	301	41	are	be	AUX
eurjchem-2484	301	42	shown	show	VERB
eurjchem-2484	301	43	in	in	ADP
eurjchem-2484	301	44	figure	figure	NOUN
eurjchem-2484	301	45	12d	12d	NOUN
eurjchem-2484	301	46	-	-	NOUN
eurjchem-2484	301	47	f.	f.	NOUN
eurjchem-2484	301	48	the	the	DET
eurjchem-2484	301	49	columbic	columbic	ADJ
eurjchem-2484	301	50	attraction	attraction	NOUN
eurjchem-2484	301	51	energies	energy	NOUN
eurjchem-2484	301	52	range	range	VERB
eurjchem-2484	301	53	from	from	ADP
eurjchem-2484	301	54	-100	-100	PROPN
eurjchem-2484	301	55	to	to	ADP
eurjchem-2484	301	56	-500	-500	NUM
eurjchem-2484	301	57	kj	kj	PROPN
eurjchem-2484	301	58	/	/	SYM
eurjchem-2484	301	59	mol	mol	NOUN
eurjchem-2484	301	60	in	in	ADP
eurjchem-2484	301	61	4	4	NUM
eurjchem-2484	301	62	-	-	PUNCT
eurjchem-2484	301	63	cah2po4	cah2po4	NOUN
eurjchem-2484	301	64	.	.	PUNCT
eurjchem-2484	302	1	3.6	3.6	NUM
eurjchem-2484	302	2	.	.	PUNCT
eurjchem-2484	303	1	dft	dft	PROPN
eurjchem-2484	303	2	calculations	calculation	NOUN
eurjchem-2484	303	3	3.6.1	3.6.1	NUM
eurjchem-2484	303	4	geometrical	geometrical	ADJ
eurjchem-2484	303	5	optimization	optimization	NOUN
eurjchem-2484	303	6	of	of	ADP
eurjchem-2484	303	7	4	4	NUM
eurjchem-2484	303	8	-	-	PUNCT
eurjchem-2484	303	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	303	10	the	the	DET
eurjchem-2484	303	11	geometric	geometric	ADJ
eurjchem-2484	303	12	parameters	parameter	NOUN
eurjchem-2484	303	13	of	of	ADP
eurjchem-2484	303	14	4	4	NUM
eurjchem-2484	303	15	-	-	PUNCT
eurjchem-2484	303	16	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	303	17	structure	structure	NOUN
eurjchem-2484	303	18	were	be	AUX
eurjchem-2484	303	19	optimized	optimize	VERB
eurjchem-2484	303	20	using	use	VERB
eurjchem-2484	303	21	the	the	DET
eurjchem-2484	303	22	dft	dft	PROPN
eurjchem-2484	303	23	/	/	SYM
eurjchem-2484	303	24	b3lyp	b3lyp	NOUN
eurjchem-2484	303	25	level	level	NOUN
eurjchem-2484	303	26	with	with	ADP
eurjchem-2484	303	27	the	the	DET
eurjchem-2484	303	28	6	6	NUM
eurjchem-2484	303	29	-	-	SYM
eurjchem-2484	303	30	31	31	NUM
eurjchem-2484	303	31	g	g	NOUN
eurjchem-2484	303	32	basis	basis	NOUN
eurjchem-2484	303	33	set	set	NOUN
eurjchem-2484	303	34	.	.	PUNCT
eurjchem-2484	304	1	the	the	DET
eurjchem-2484	304	2	optimized	optimize	VERB
eurjchem-2484	304	3	molecular	molecular	ADJ
eurjchem-2484	304	4	structure	structure	NOUN
eurjchem-2484	304	5	of	of	ADP
eurjchem-2484	304	6	4	4	NUM
eurjchem-2484	304	7	-	-	PUNCT
eurjchem-2484	304	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	304	9	with	with	ADP
eurjchem-2484	304	10	atom	atom	NOUN
eurjchem-2484	304	11	labeling	labeling	NOUN
eurjchem-2484	304	12	scheme	scheme	NOUN
eurjchem-2484	304	13	is	be	AUX
eurjchem-2484	304	14	shown	show	VERB
eurjchem-2484	304	15	in	in	ADP
eurjchem-2484	304	16	figure	figure	NOUN
eurjchem-2484	304	17	13a	13a	NOUN
eurjchem-2484	304	18	.	.	PUNCT
eurjchem-2484	305	1	the	the	DET
eurjchem-2484	305	2	plot	plot	NOUN
eurjchem-2484	305	3	showing	show	VERB
eurjchem-2484	305	4	the	the	DET
eurjchem-2484	305	5	correlation	correlation	NOUN
eurjchem-2484	305	6	between	between	ADP
eurjchem-2484	305	7	the	the	DET
eurjchem-2484	305	8	experimental	experimental	ADJ
eurjchem-2484	305	9	and	and	CCONJ
eurjchem-2484	305	10	theoretical	theoretical	ADJ
eurjchem-2484	305	11	values	value	NOUN
eurjchem-2484	305	12	of	of	ADP
eurjchem-2484	305	13	the	the	DET
eurjchem-2484	305	14	bond	bond	NOUN
eurjchem-2484	305	15	distances	distance	NOUN
eurjchem-2484	305	16	obtained	obtain	VERB
eurjchem-2484	305	17	is	be	AUX
eurjchem-2484	305	18	shown	show	VERB
eurjchem-2484	305	19	in	in	ADP
eurjchem-2484	305	20	figure	figure	NOUN
eurjchem-2484	305	21	13b	13b	NOUN
eurjchem-2484	305	22	.	.	PUNCT
eurjchem-2484	306	1	when	when	SCONJ
eurjchem-2484	306	2	the	the	DET
eurjchem-2484	306	3	experimental	experimental	ADJ
eurjchem-2484	306	4	and	and	CCONJ
eurjchem-2484	306	5	theoretical	theoretical	ADJ
eurjchem-2484	306	6	values	value	NOUN
eurjchem-2484	306	7	of	of	ADP
eurjchem-2484	306	8	bond	bond	NOUN
eurjchem-2484	306	9	length	length	NOUN
eurjchem-2484	306	10	are	be	AUX
eurjchem-2484	306	11	compared	compare	VERB
eurjchem-2484	306	12	,	,	PUNCT
eurjchem-2484	306	13	it	it	PRON
eurjchem-2484	306	14	is	be	AUX
eurjchem-2484	306	15	found	find	VERB
eurjchem-2484	306	16	that	that	SCONJ
eurjchem-2484	306	17	the	the	DET
eurjchem-2484	306	18	theoretical	theoretical	ADJ
eurjchem-2484	306	19	bond	bond	NOUN
eurjchem-2484	306	20	lengths	length	NOUN
eurjchem-2484	306	21	are	be	AUX
eurjchem-2484	306	22	slightly	slightly	ADV
eurjchem-2484	306	23	longer	long	ADJ
eurjchem-2484	306	24	than	than	ADP
eurjchem-2484	306	25	those	those	PRON
eurjchem-2484	306	26	obtained	obtain	VERB
eurjchem-2484	306	27	from	from	ADP
eurjchem-2484	306	28	xrd	xrd	PROPN
eurjchem-2484	306	29	data	data	PROPN
eurjchem-2484	306	30	.	.	PUNCT
eurjchem-2484	307	1	the	the	DET
eurjchem-2484	307	2	small	small	ADJ
eurjchem-2484	307	3	discrepancies	discrepancy	NOUN
eurjchem-2484	307	4	seen	see	VERB
eurjchem-2484	307	5	in	in	ADP
eurjchem-2484	307	6	the	the	DET
eurjchem-2484	307	7	bond	bond	NOUN
eurjchem-2484	307	8	parameters	parameter	NOUN
eurjchem-2484	307	9	are	be	AUX
eurjchem-2484	307	10	due	due	ADJ
eurjchem-2484	307	11	to	to	ADP
eurjchem-2484	307	12	the	the	DET
eurjchem-2484	307	13	fact	fact	NOUN
eurjchem-2484	307	14	that	that	SCONJ
eurjchem-2484	307	15	the	the	DET
eurjchem-2484	307	16	theoretical	theoretical	ADJ
eurjchem-2484	307	17	calculations	calculation	NOUN
eurjchem-2484	307	18	are	be	AUX
eurjchem-2484	307	19	carried	carry	VERB
eurjchem-2484	307	20	out	out	ADP
eurjchem-2484	307	21	on	on	ADP
eurjchem-2484	307	22	an	an	DET
eurjchem-2484	307	23	isolated	isolated	ADJ
eurjchem-2484	307	24	molecule	molecule	NOUN
eurjchem-2484	307	25	and	and	CCONJ
eurjchem-2484	307	26	the	the	DET
eurjchem-2484	307	27	xrd	xrd	PROPN
eurjchem-2484	307	28	data	datum	NOUN
eurjchem-2484	307	29	are	be	AUX
eurjchem-2484	307	30	obtained	obtain	VERB
eurjchem-2484	307	31	for	for	ADP
eurjchem-2484	307	32	the	the	DET
eurjchem-2484	307	33	bulk	bulk	ADJ
eurjchem-2484	307	34	molecules	molecule	NOUN
eurjchem-2484	307	35	where	where	SCONJ
eurjchem-2484	307	36	the	the	DET
eurjchem-2484	307	37	packing	packing	NOUN
eurjchem-2484	307	38	effects	effect	NOUN
eurjchem-2484	307	39	and	and	CCONJ
eurjchem-2484	307	40	intermolecular	intermolecular	ADJ
eurjchem-2484	307	41	interactions	interaction	NOUN
eurjchem-2484	307	42	play	play	VERB
eurjchem-2484	307	43	an	an	DET
eurjchem-2484	307	44	important	important	ADJ
eurjchem-2484	307	45	role	role	NOUN
eurjchem-2484	307	46	in	in	ADP
eurjchem-2484	307	47	keeping	keep	VERB
eurjchem-2484	307	48	the	the	DET
eurjchem-2484	307	49	molecules	molecule	NOUN
eurjchem-2484	307	50	together	together	ADV
eurjchem-2484	307	51	.	.	PUNCT
eurjchem-2484	308	1	the	the	DET
eurjchem-2484	308	2	optimized	optimize	VERB
eurjchem-2484	308	3	c	c	NOUN
eurjchem-2484	308	4	-	-	PUNCT
eurjchem-2484	308	5	c	c	NOUN
eurjchem-2484	308	6	bond	bond	NOUN
eurjchem-2484	308	7	lengths	length	NOUN
eurjchem-2484	308	8	of	of	ADP
eurjchem-2484	308	9	the	the	DET
eurjchem-2484	308	10	phenyl	phenyl	NOUN
eurjchem-2484	308	11	ring	ring	NOUN
eurjchem-2484	308	12	were	be	AUX
eurjchem-2484	308	13	in	in	ADP
eurjchem-2484	308	14	the	the	DET
eurjchem-2484	308	15	range	range	NOUN
eurjchem-2484	308	16	of	of	ADP
eurjchem-2484	308	17	1.3936	1.3936	NUM
eurjchem-2484	308	18	to	to	ADP
eurjchem-2484	308	19	1.405	1.405	NUM
eurjchem-2484	308	20	å	å	NOUN
eurjchem-2484	308	21	,	,	PUNCT
eurjchem-2484	308	22	which	which	PRON
eurjchem-2484	308	23	seems	seem	VERB
eurjchem-2484	308	24	to	to	PART
eurjchem-2484	308	25	be	be	AUX
eurjchem-2484	308	26	reliable	reliable	ADJ
eurjchem-2484	308	27	and	and	CCONJ
eurjchem-2484	308	28	is	be	AUX
eurjchem-2484	308	29	in	in	ADP
eurjchem-2484	308	30	agreement	agreement	NOUN
eurjchem-2484	308	31	with	with	ADP
eurjchem-2484	308	32	the	the	DET
eurjchem-2484	308	33	experimental	experimental	ADJ
eurjchem-2484	308	34	values	value	NOUN
eurjchem-2484	308	35	obtained	obtain	VERB
eurjchem-2484	308	36	of	of	ADP
eurjchem-2484	308	37	the	the	DET
eurjchem-2484	308	38	c	c	PROPN
eurjchem-2484	308	39	-	-	PUNCT
eurjchem-2484	308	40	c	c	NOUN
eurjchem-2484	308	41	bond	bond	NOUN
eurjchem-2484	308	42	lengths	length	NOUN
eurjchem-2484	308	43	in	in	ADP
eurjchem-2484	308	44	the	the	DET
eurjchem-2484	308	45	phenyl	phenyl	NOUN
eurjchem-2484	308	46	ring	ring	NOUN
eurjchem-2484	308	47	.	.	PUNCT
eurjchem-2484	309	1	lata	lata	PROPN
eurjchem-2484	309	2	panicker	panicker	PROPN
eurjchem-2484	309	3	/	/	SYM
eurjchem-2484	309	4	european	european	PROPN
eurjchem-2484	309	5	journal	journal	PROPN
eurjchem-2484	309	6	of	of	ADP
eurjchem-2484	309	7	chemistry	chemistry	NOUN
eurjchem-2484	309	8	15	15	NUM
eurjchem-2484	309	9	(	(	PUNCT
eurjchem-2484	309	10	1	1	NUM
eurjchem-2484	309	11	)	)	PUNCT
eurjchem-2484	309	12	(	(	PUNCT
eurjchem-2484	309	13	2024	2024	NUM
eurjchem-2484	309	14	)	)	PUNCT
eurjchem-2484	309	15	1	1	NUM
eurjchem-2484	309	16	-	-	SYM
eurjchem-2484	309	17	16	16	NUM
eurjchem-2484	309	18	11	11	NUM
eurjchem-2484	309	19	2024	2024	NUM
eurjchem-2484	309	20	–	–	PUNCT
eurjchem-2484	309	21	european	european	ADJ
eurjchem-2484	309	22	journal	journal	NOUN
eurjchem-2484	309	23	of	of	ADP
eurjchem-2484	309	24	chemistry	chemistry	NOUN
eurjchem-2484	309	25	–	–	PUNCT
eurjchem-2484	309	26	cc	cc	NOUN
eurjchem-2484	309	27	by	by	ADP
eurjchem-2484	309	28	nc	nc	PROPN
eurjchem-2484	309	29	–	–	PUNCT
eurjchem-2484	309	30	doi	doi	PROPN
eurjchem-2484	309	31	:	:	PUNCT
eurjchem-2484	309	32	10.5155	10.5155	NUM
eurjchem-2484	309	33	/	/	SYM
eurjchem-2484	309	34	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	309	35	-	-	SYM
eurjchem-2484	309	36	16.2484	16.2484	NUM
eurjchem-2484	309	37	(	(	PUNCT
eurjchem-2484	309	38	a	a	NOUN
eurjchem-2484	309	39	)	)	PUNCT
eurjchem-2484	309	40	(	(	PUNCT
eurjchem-2484	309	41	b	b	X
eurjchem-2484	309	42	)	)	PUNCT
eurjchem-2484	309	43	(	(	PUNCT
eurjchem-2484	309	44	c	c	X
eurjchem-2484	309	45	)	)	PUNCT
eurjchem-2484	309	46	(	(	PUNCT
eurjchem-2484	309	47	d	d	X
eurjchem-2484	309	48	)	)	PUNCT
eurjchem-2484	309	49	(	(	PUNCT
eurjchem-2484	309	50	e	e	NOUN
eurjchem-2484	309	51	)	)	PUNCT
eurjchem-2484	309	52	(	(	PUNCT
eurjchem-2484	309	53	f	f	X
eurjchem-2484	309	54	)	)	PUNCT
eurjchem-2484	309	55	figure	figure	NOUN
eurjchem-2484	309	56	12	12	NUM
eurjchem-2484	309	57	.	.	PUNCT
eurjchem-2484	310	1	energy	energy	NOUN
eurjchem-2484	310	2	framework	framework	NOUN
eurjchem-2484	310	3	diagrams	diagram	NOUN
eurjchem-2484	310	4	for	for	ADP
eurjchem-2484	310	5	a	a	DET
eurjchem-2484	310	6	3×3×3	3×3×3	NUM
eurjchem-2484	310	7	supercell	supercell	NOUN
eurjchem-2484	310	8	of	of	ADP
eurjchem-2484	310	9	4	4	NUM
eurjchem-2484	310	10	-	-	PUNCT
eurjchem-2484	310	11	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	310	12	(	(	PUNCT
eurjchem-2484	310	13	a	a	PRON
eurjchem-2484	310	14	,	,	PUNCT
eurjchem-2484	310	15	b	b	NOUN
eurjchem-2484	310	16	,	,	PUNCT
eurjchem-2484	310	17	c	c	NOUN
eurjchem-2484	310	18	)	)	PUNCT
eurjchem-2484	310	19	and	and	CCONJ
eurjchem-2484	310	20	4	4	NUM
eurjchem-2484	310	21	-	-	NOUN
eurjchem-2484	310	22	cah2po4	cah2po4	NOUN
eurjchem-2484	310	23	(	(	PUNCT
eurjchem-2484	310	24	d	d	NOUN
eurjchem-2484	310	25	,	,	PUNCT
eurjchem-2484	310	26	e	e	NOUN
eurjchem-2484	310	27	,	,	PUNCT
eurjchem-2484	310	28	f	f	X
eurjchem-2484	310	29	)	)	PUNCT
eurjchem-2484	310	30	(	(	PUNCT
eurjchem-2484	310	31	reference	reference	NOUN
eurjchem-2484	310	32	[	[	X
eurjchem-2484	310	33	8	8	NUM
eurjchem-2484	310	34	]	]	X
eurjchem-2484	310	35	ccdc	ccdc	NOUN
eurjchem-2484	310	36	deposition	deposition	NOUN
eurjchem-2484	310	37	number	number	NOUN
eurjchem-2484	310	38	647348	647348	NUM
eurjchem-2484	310	39	)	)	PUNCT
eurjchem-2484	310	40	crystal	crystal	NOUN
eurjchem-2484	310	41	structures	structure	NOUN
eurjchem-2484	310	42	viewed	view	VERB
eurjchem-2484	310	43	along	along	ADP
eurjchem-2484	310	44	the	the	DET
eurjchem-2484	310	45	crystallographic	crystallographic	ADJ
eurjchem-2484	310	46	a	a	DET
eurjchem-2484	310	47	axis	axis	NOUN
eurjchem-2484	310	48	.	.	PUNCT
eurjchem-2484	311	1	the	the	DET
eurjchem-2484	311	2	cylindrical	cylindrical	ADJ
eurjchem-2484	311	3	radius	radius	NOUN
eurjchem-2484	311	4	is	be	AUX
eurjchem-2484	311	5	proportional	proportional	ADJ
eurjchem-2484	311	6	to	to	ADP
eurjchem-2484	311	7	the	the	DET
eurjchem-2484	311	8	relative	relative	ADJ
eurjchem-2484	311	9	strength	strength	NOUN
eurjchem-2484	311	10	of	of	ADP
eurjchem-2484	311	11	the	the	DET
eurjchem-2484	311	12	corresponding	correspond	VERB
eurjchem-2484	311	13	energy	energy	NOUN
eurjchem-2484	311	14	and	and	CCONJ
eurjchem-2484	311	15	was	be	AUX
eurjchem-2484	311	16	adjusted	adjust	VERB
eurjchem-2484	311	17	to	to	ADP
eurjchem-2484	311	18	a	a	DET
eurjchem-2484	311	19	scale	scale	NOUN
eurjchem-2484	311	20	factor	factor	NOUN
eurjchem-2484	311	21	of	of	ADP
eurjchem-2484	311	22	45	45	NUM
eurjchem-2484	311	23	kj	kj	PROPN
eurjchem-2484	311	24	/	/	SYM
eurjchem-2484	311	25	mol	mol	NOUN
eurjchem-2484	311	26	with	with	ADP
eurjchem-2484	311	27	a	a	DET
eurjchem-2484	311	28	cut	cut	VERB
eurjchem-2484	311	29	-	-	PUNCT
eurjchem-2484	311	30	off	off	ADP
eurjchem-2484	311	31	value	value	NOUN
eurjchem-2484	311	32	of	of	ADP
eurjchem-2484	311	33	5	5	NUM
eurjchem-2484	311	34	kj	kj	NOUN
eurjchem-2484	311	35	/	/	SYM
eurjchem-2484	311	36	mol	mol	NOUN
eurjchem-2484	311	37	for	for	ADP
eurjchem-2484	311	38	all	all	DET
eurjchem-2484	311	39	energies	energy	NOUN
eurjchem-2484	311	40	.	.	PUNCT
eurjchem-2484	312	1	the	the	DET
eurjchem-2484	312	2	electrostatic	electrostatic	ADJ
eurjchem-2484	312	3	(	(	PUNCT
eurjchem-2484	312	4	a	a	PRON
eurjchem-2484	312	5	,	,	PUNCT
eurjchem-2484	312	6	d	d	NOUN
eurjchem-2484	312	7	)	)	PUNCT
eurjchem-2484	312	8	,	,	PUNCT
eurjchem-2484	312	9	dispersion	dispersion	NOUN
eurjchem-2484	312	10	(	(	PUNCT
eurjchem-2484	312	11	b	b	NOUN
eurjchem-2484	312	12	,	,	PUNCT
eurjchem-2484	312	13	e	e	NOUN
eurjchem-2484	312	14	)	)	PUNCT
eurjchem-2484	312	15	,	,	PUNCT
eurjchem-2484	312	16	and	and	CCONJ
eurjchem-2484	312	17	total	total	ADJ
eurjchem-2484	312	18	energy	energy	NOUN
eurjchem-2484	312	19	(	(	PUNCT
eurjchem-2484	312	20	c	c	X
eurjchem-2484	312	21	,	,	PUNCT
eurjchem-2484	312	22	f	f	X
eurjchem-2484	312	23	)	)	PUNCT
eurjchem-2484	312	24	terms	term	NOUN
eurjchem-2484	312	25	are	be	AUX
eurjchem-2484	312	26	colored	color	VERB
eurjchem-2484	312	27	red	red	ADJ
eurjchem-2484	312	28	,	,	PUNCT
eurjchem-2484	312	29	green	green	ADJ
eurjchem-2484	312	30	,	,	PUNCT
eurjchem-2484	312	31	and	and	CCONJ
eurjchem-2484	312	32	blue	blue	ADJ
eurjchem-2484	312	33	,	,	PUNCT
eurjchem-2484	312	34	respectively	respectively	ADV
eurjchem-2484	312	35	.	.	PUNCT
eurjchem-2484	313	1	(	(	PUNCT
eurjchem-2484	313	2	a	a	X
eurjchem-2484	313	3	)	)	PUNCT
eurjchem-2484	313	4	(	(	PUNCT
eurjchem-2484	313	5	b	b	X
eurjchem-2484	313	6	)	)	PUNCT
eurjchem-2484	313	7	figure	figure	NOUN
eurjchem-2484	313	8	13	13	NUM
eurjchem-2484	313	9	.	.	PUNCT
eurjchem-2484	314	1	(	(	PUNCT
eurjchem-2484	314	2	a	a	X
eurjchem-2484	314	3	)	)	PUNCT
eurjchem-2484	314	4	the	the	DET
eurjchem-2484	314	5	theoretically	theoretically	ADV
eurjchem-2484	314	6	optimized	optimize	VERB
eurjchem-2484	314	7	molecular	molecular	ADJ
eurjchem-2484	314	8	structure	structure	NOUN
eurjchem-2484	314	9	of	of	ADP
eurjchem-2484	314	10	4	4	NUM
eurjchem-2484	314	11	-	-	PUNCT
eurjchem-2484	314	12	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	314	13	dihydrogen	dihydrogen	NOUN
eurjchem-2484	314	14	phosphate	phosphate	NOUN
eurjchem-2484	314	15	monohydrate	monohydrate	NOUN
eurjchem-2484	314	16	with	with	ADP
eurjchem-2484	314	17	labeled	label	VERB
eurjchem-2484	314	18	atoms	atom	NOUN
eurjchem-2484	314	19	and	and	CCONJ
eurjchem-2484	314	20	(	(	PUNCT
eurjchem-2484	314	21	b	b	NOUN
eurjchem-2484	314	22	)	)	PUNCT
eurjchem-2484	314	23	plot	plot	NOUN
eurjchem-2484	314	24	depicting	depict	VERB
eurjchem-2484	314	25	the	the	DET
eurjchem-2484	314	26	graphical	graphical	ADJ
eurjchem-2484	314	27	correlation	correlation	NOUN
eurjchem-2484	314	28	between	between	ADP
eurjchem-2484	314	29	the	the	DET
eurjchem-2484	314	30	experimental	experimental	ADJ
eurjchem-2484	314	31	and	and	CCONJ
eurjchem-2484	314	32	theoretical	theoretical	ADJ
eurjchem-2484	314	33	values	value	NOUN
eurjchem-2484	314	34	of	of	ADP
eurjchem-2484	314	35	the	the	DET
eurjchem-2484	314	36	bond	bond	NOUN
eurjchem-2484	314	37	distances	distance	NOUN
eurjchem-2484	314	38	obtained	obtain	VERB
eurjchem-2484	314	39	by	by	ADP
eurjchem-2484	314	40	dft	dft	PROPN
eurjchem-2484	314	41	/	/	SYM
eurjchem-2484	314	42	b3lyp	b3lyp	NOUN
eurjchem-2484	314	43	level	level	NOUN
eurjchem-2484	314	44	with	with	ADP
eurjchem-2484	314	45	6	6	NUM
eurjchem-2484	314	46	-	-	SYM
eurjchem-2484	314	47	31	31	NUM
eurjchem-2484	314	48	g	g	NOUN
eurjchem-2484	314	49	basis	basis	NOUN
eurjchem-2484	314	50	sets	set	NOUN
eurjchem-2484	314	51	.	.	PUNCT
eurjchem-2484	315	1	the	the	DET
eurjchem-2484	315	2	optimized	optimize	VERB
eurjchem-2484	315	3	p	p	PROPN
eurjchem-2484	315	4	-	-	PUNCT
eurjchem-2484	315	5	o	o	NOUN
eurjchem-2484	315	6	bond	bond	NOUN
eurjchem-2484	315	7	lengths	length	NOUN
eurjchem-2484	315	8	were	be	AUX
eurjchem-2484	315	9	1.5889	1.5889	NUM
eurjchem-2484	315	10	to	to	ADP
eurjchem-2484	315	11	1.6284	1.6284	NUM
eurjchem-2484	315	12	å	å	PROPN
eurjchem-2484	315	13	for	for	ADP
eurjchem-2484	315	14	p	p	PROPN
eurjchem-2484	315	15	=	=	PROPN
eurjchem-2484	315	16	o	o	NOUN
eurjchem-2484	315	17	bonds	bond	NOUN
eurjchem-2484	315	18	and	and	CCONJ
eurjchem-2484	315	19	1.7554	1.7554	NUM
eurjchem-2484	315	20	to	to	ADP
eurjchem-2484	315	21	1.7734	1.7734	NUM
eurjchem-2484	315	22	å	å	NOUN
eurjchem-2484	315	23	for	for	ADP
eurjchem-2484	315	24	p	p	NOUN
eurjchem-2484	315	25	-	-	PUNCT
eurjchem-2484	315	26	o	o	NOUN
eurjchem-2484	315	27	-	-	ADJ
eurjchem-2484	315	28	h	h	ADJ
eurjchem-2484	315	29	bonds	bond	NOUN
eurjchem-2484	315	30	,	,	PUNCT
eurjchem-2484	315	31	which	which	PRON
eurjchem-2484	315	32	seems	seem	VERB
eurjchem-2484	315	33	to	to	PART
eurjchem-2484	315	34	be	be	AUX
eurjchem-2484	315	35	reliable	reliable	ADJ
eurjchem-2484	315	36	.	.	PUNCT
eurjchem-2484	316	1	the	the	DET
eurjchem-2484	316	2	amine	amine	ADJ
eurjchem-2484	316	3	n	n	CCONJ
eurjchem-2484	316	4	-	-	PUNCT
eurjchem-2484	316	5	h···o	h···o	PROPN
eurjchem-2484	316	6	hydrogen	hydrogen	NOUN
eurjchem-2484	316	7	bond	bond	NOUN
eurjchem-2484	316	8	appears	appear	VERB
eurjchem-2484	316	9	to	to	PART
eurjchem-2484	316	10	be	be	AUX
eurjchem-2484	316	11	stronger	strong	ADJ
eurjchem-2484	316	12	in	in	ADP
eurjchem-2484	316	13	theoretical	theoretical	ADJ
eurjchem-2484	316	14	calculations	calculation	NOUN
eurjchem-2484	316	15	due	due	ADP
eurjchem-2484	316	16	to	to	ADP
eurjchem-2484	316	17	the	the	DET
eurjchem-2484	316	18	orientation	orientation	NOUN
eurjchem-2484	316	19	of	of	ADP
eurjchem-2484	316	20	the	the	DET
eurjchem-2484	316	21	phosphate	phosphate	ADJ
eurjchem-2484	316	22	anion	anion	NOUN
eurjchem-2484	316	23	and	and	CCONJ
eurjchem-2484	316	24	water	water	NOUN
eurjchem-2484	316	25	molecule	molecule	NOUN
eurjchem-2484	316	26	.	.	PUNCT
eurjchem-2484	317	1	the	the	DET
eurjchem-2484	317	2	experimental	experimental	ADJ
eurjchem-2484	317	3	and	and	CCONJ
eurjchem-2484	317	4	calculated	calculated	ADJ
eurjchem-2484	317	5	values	value	NOUN
eurjchem-2484	317	6	of	of	ADP
eurjchem-2484	317	7	the	the	DET
eurjchem-2484	317	8	hydrogen	hydrogen	NOUN
eurjchem-2484	317	9	bond	bond	NOUN
eurjchem-2484	317	10	in	in	ADP
eurjchem-2484	317	11	(	(	PUNCT
eurjchem-2484	317	12	i	i	NOUN
eurjchem-2484	317	13	)	)	PUNCT
eurjchem-2484	317	14	n	n	CCONJ
eurjchem-2484	317	15	-	-	PUNCT
eurjchem-2484	317	16	h···o	h···o	NOUN
eurjchem-2484	317	17	=	=	NOUN
eurjchem-2484	317	18	p	p	NOUN
eurjchem-2484	317	19	were	be	AUX
eurjchem-2484	317	20	1.9312	1.9312	NUM
eurjchem-2484	317	21	å	å	X
eurjchem-2484	317	22	(	(	PUNCT
eurjchem-2484	317	23	exp	exp	NOUN
eurjchem-2484	317	24	)	)	PUNCT
eurjchem-2484	317	25	and	and	CCONJ
eurjchem-2484	317	26	1.5966	1.5966	NUM
eurjchem-2484	317	27	å	å	PROPN
eurjchem-2484	317	28	(	(	PUNCT
eurjchem-2484	317	29	opt	opt	PROPN
eurjchem-2484	317	30	)	)	PUNCT
eurjchem-2484	317	31	,	,	PUNCT
eurjchem-2484	317	32	respectively	respectively	ADV
eurjchem-2484	317	33	,	,	PUNCT
eurjchem-2484	317	34	and	and	CCONJ
eurjchem-2484	317	35	(	(	PUNCT
eurjchem-2484	317	36	ii	ii	NOUN
eurjchem-2484	317	37	)	)	PUNCT
eurjchem-2484	317	38	n	n	CCONJ
eurjchem-2484	317	39	-	-	PUNCT
eurjchem-2484	317	40	h···o	h···o	PROPN
eurjchem-2484	317	41	-	-	PUNCT
eurjchem-2484	317	42	h	h	NOUN
eurjchem-2484	317	43	(	(	PUNCT
eurjchem-2484	317	44	water	water	NOUN
eurjchem-2484	317	45	)	)	PUNCT
eurjchem-2484	317	46	were	be	AUX
eurjchem-2484	317	47	1.9374	1.9374	NUM
eurjchem-2484	317	48	å	å	X
eurjchem-2484	317	49	(	(	PUNCT
eurjchem-2484	317	50	exp	exp	NOUN
eurjchem-2484	317	51	)	)	PUNCT
eurjchem-2484	317	52	and	and	CCONJ
eurjchem-2484	317	53	1.6947	1.6947	NUM
eurjchem-2484	317	54	å	å	PROPN
eurjchem-2484	317	55	(	(	PUNCT
eurjchem-2484	317	56	opt	opt	PROPN
eurjchem-2484	317	57	)	)	PUNCT
eurjchem-2484	317	58	,	,	PUNCT
eurjchem-2484	317	59	respectively	respectively	ADV
eurjchem-2484	317	60	.	.	PUNCT
eurjchem-2484	318	1	from	from	ADP
eurjchem-2484	318	2	the	the	DET
eurjchem-2484	318	3	theoretical	theoretical	ADJ
eurjchem-2484	318	4	values	value	NOUN
eurjchem-2484	318	5	,	,	PUNCT
eurjchem-2484	318	6	it	it	PRON
eurjchem-2484	318	7	is	be	AUX
eurjchem-2484	318	8	observed	observe	VERB
eurjchem-2484	318	9	that	that	SCONJ
eurjchem-2484	318	10	the	the	DET
eurjchem-2484	318	11	most	most	ADV
eurjchem-2484	318	12	optimized	optimize	VERB
eurjchem-2484	318	13	bond	bond	NOUN
eurjchem-2484	318	14	lengths	length	NOUN
eurjchem-2484	318	15	and	and	CCONJ
eurjchem-2484	318	16	bond	bond	NOUN
eurjchem-2484	318	17	angles	angle	NOUN
eurjchem-2484	318	18	are	be	AUX
eurjchem-2484	318	19	slightly	slightly	ADV
eurjchem-2484	318	20	larger	large	ADJ
eurjchem-2484	318	21	than	than	ADP
eurjchem-2484	318	22	the	the	DET
eurjchem-2484	318	23	experimental	experimental	ADJ
eurjchem-2484	318	24	value	value	NOUN
eurjchem-2484	318	25	,	,	PUNCT
eurjchem-2484	318	26	because	because	SCONJ
eurjchem-2484	318	27	the	the	DET
eurjchem-2484	318	28	theoretical	theoretical	ADJ
eurjchem-2484	318	29	calculations	calculation	NOUN
eurjchem-2484	318	30	were	be	AUX
eurjchem-2484	318	31	carried	carry	VERB
eurjchem-2484	318	32	out	out	ADP
eurjchem-2484	318	33	on	on	ADP
eurjchem-2484	318	34	molecules	molecule	NOUN
eurjchem-2484	318	35	in	in	ADP
eurjchem-2484	318	36	the	the	DET
eurjchem-2484	318	37	gaseous	gaseous	ADJ
eurjchem-2484	318	38	phase	phase	NOUN
eurjchem-2484	318	39	,	,	PUNCT
eurjchem-2484	318	40	while	while	SCONJ
eurjchem-2484	318	41	the	the	DET
eurjchem-2484	318	42	experimental	experimental	ADJ
eurjchem-2484	318	43	results	result	NOUN
eurjchem-2484	318	44	correspond	correspond	VERB
eurjchem-2484	318	45	to	to	ADP
eurjchem-2484	318	46	molecules	molecule	NOUN
eurjchem-2484	318	47	in	in	ADP
eurjchem-2484	318	48	solid	solid	ADJ
eurjchem-2484	318	49	crystalline	crystalline	NOUN
eurjchem-2484	318	50	states	state	NOUN
eurjchem-2484	318	51	[	[	X
eurjchem-2484	318	52	39,40	39,40	NUM
eurjchem-2484	318	53	]	]	PUNCT
eurjchem-2484	318	54	.	.	PUNCT
eurjchem-2484	319	1	the	the	DET
eurjchem-2484	319	2	theoretical	theoretical	ADJ
eurjchem-2484	319	3	calculation	calculation	NOUN
eurjchem-2484	319	4	and	and	CCONJ
eurjchem-2484	319	5	analysis	analysis	NOUN
eurjchem-2484	319	6	of	of	ADP
eurjchem-2484	319	7	the	the	DET
eurjchem-2484	319	8	frontier	frontier	NOUN
eurjchem-2484	319	9	orbitals	orbital	NOUN
eurjchem-2484	319	10	,	,	PUNCT
eurjchem-2484	319	11	homo	homo	NOUN
eurjchem-2484	319	12	(	(	PUNCT
eurjchem-2484	319	13	highest	highest	ADV
eurjchem-2484	319	14	occupied	occupy	VERB
eurjchem-2484	319	15	molecular	molecular	ADJ
eurjchem-2484	319	16	orbital	orbital	NOUN
eurjchem-2484	319	17	)	)	PUNCT
eurjchem-2484	319	18	and	and	CCONJ
eurjchem-2484	319	19	lumo	lumo	NOUN
eurjchem-2484	319	20	(	(	PUNCT
eurjchem-2484	319	21	lowest	lowest	ADV
eurjchem-2484	319	22	unoccupied	unoccupied	ADJ
eurjchem-2484	319	23	molecular	molecular	ADJ
eurjchem-2484	319	24	orbital	orbital	NOUN
eurjchem-2484	319	25	)	)	PUNCT
eurjchem-2484	319	26	of	of	ADP
eurjchem-2484	319	27	a	a	DET
eurjchem-2484	319	28	molecule	molecule	NOUN
eurjchem-2484	319	29	help	help	NOUN
eurjchem-2484	319	30	to	to	PART
eurjchem-2484	319	31	understand	understand	VERB
eurjchem-2484	319	32	and	and	CCONJ
eurjchem-2484	319	33	determine	determine	VERB
eurjchem-2484	319	34	its	its	PRON
eurjchem-2484	319	35	chemical	chemical	NOUN
eurjchem-2484	319	36	reactivity	reactivity	NOUN
eurjchem-2484	319	37	and	and	CCONJ
eurjchem-2484	319	38	kinetic	kinetic	ADJ
eurjchem-2484	319	39	stability	stability	NOUN
eurjchem-2484	319	40	.	.	PUNCT
eurjchem-2484	320	1	to	to	PART
eurjchem-2484	320	2	understand	understand	VERB
eurjchem-2484	320	3	the	the	DET
eurjchem-2484	320	4	chemical	chemical	NOUN
eurjchem-2484	320	5	reactivity	reactivity	NOUN
eurjchem-2484	320	6	and	and	CCONJ
eurjchem-2484	320	7	kinetic	kinetic	ADJ
eurjchem-2484	320	8	stability	stability	NOUN
eurjchem-2484	320	9	of	of	ADP
eurjchem-2484	320	10	4	4	NUM
eurjchem-2484	320	11	-	-	PUNCT
eurjchem-2484	320	12	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	320	13	,	,	PUNCT
eurjchem-2484	320	14	the	the	DET
eurjchem-2484	320	15	3d	3d	NOUN
eurjchem-2484	320	16	plots	plot	NOUN
eurjchem-2484	320	17	of	of	ADP
eurjchem-2484	320	18	its	its	PRON
eurjchem-2484	320	19	homo	homo	NOUN
eurjchem-2484	320	20	and	and	CCONJ
eurjchem-2484	320	21	lumo	lumo	NOUN
eurjchem-2484	320	22	orbitals	orbital	NOUN
eurjchem-2484	320	23	were	be	AUX
eurjchem-2484	320	24	obtained	obtain	VERB
eurjchem-2484	320	25	.	.	PUNCT
eurjchem-2484	321	1	the	the	DET
eurjchem-2484	321	2	calculated	calculate	VERB
eurjchem-2484	321	3	energy	energy	NOUN
eurjchem-2484	321	4	gap	gap	NOUN
eurjchem-2484	321	5	,	,	PUNCT
eurjchem-2484	321	6	δe	δe	NOUN
eurjchem-2484	321	7	of	of	ADP
eurjchem-2484	321	8	4cah2po4.h2o	4cah2po4.h2o	NUM
eurjchem-2484	321	9	is	be	AUX
eurjchem-2484	321	10	5.1114	5.1114	NUM
eurjchem-2484	321	11	ev	ev	NOUN
eurjchem-2484	321	12	(	(	PUNCT
eurjchem-2484	321	13	figure	figure	NOUN
eurjchem-2484	321	14	14	14	NUM
eurjchem-2484	321	15	)	)	PUNCT
eurjchem-2484	321	16	.	.	PUNCT
eurjchem-2484	322	1	a	a	DET
eurjchem-2484	322	2	molecule	molecule	NOUN
eurjchem-2484	322	3	with	with	ADP
eurjchem-2484	322	4	a	a	DET
eurjchem-2484	322	5	large	large	ADJ
eurjchem-2484	322	6	homo	homo	NOUN
eurjchem-2484	322	7	-	-	PUNCT
eurjchem-2484	322	8	lumo	lumo	NOUN
eurjchem-2484	322	9	gap	gap	NOUN
eurjchem-2484	322	10	will	will	AUX
eurjchem-2484	322	11	be	be	AUX
eurjchem-2484	322	12	a	a	DET
eurjchem-2484	322	13	hard	hard	ADJ
eurjchem-2484	322	14	molecule	molecule	NOUN
eurjchem-2484	322	15	.	.	PUNCT
eurjchem-2484	323	1	however	however	ADV
eurjchem-2484	323	2	,	,	PUNCT
eurjchem-2484	323	3	if	if	SCONJ
eurjchem-2484	323	4	the	the	DET
eurjchem-2484	323	5	molecule	molecule	NOUN
eurjchem-2484	323	6	has	have	VERB
eurjchem-2484	323	7	a	a	DET
eurjchem-2484	323	8	small	small	ADJ
eurjchem-2484	323	9	homo	homo	NOUN
eurjchem-2484	323	10	-	-	PUNCT
eurjchem-2484	323	11	lumo	lumo	NOUN
eurjchem-2484	323	12	gap	gap	NOUN
eurjchem-2484	323	13	,	,	PUNCT
eurjchem-2484	323	14	it	it	PRON
eurjchem-2484	323	15	will	will	AUX
eurjchem-2484	323	16	be	be	AUX
eurjchem-2484	323	17	a	a	DET
eurjchem-2484	323	18	soft	soft	ADJ
eurjchem-2484	323	19	molecule	molecule	NOUN
eurjchem-2484	323	20	.	.	PUNCT
eurjchem-2484	324	1	the	the	DET
eurjchem-2484	324	2	ionization	ionization	NOUN
eurjchem-2484	324	3	energy	energy	NOUN
eurjchem-2484	324	4	can	can	AUX
eurjchem-2484	324	5	be	be	AUX
eurjchem-2484	324	6	correlated	correlate	VERB
eurjchem-2484	324	7	with	with	ADP
eurjchem-2484	324	8	the	the	DET
eurjchem-2484	324	9	chemical	chemical	NOUN
eurjchem-2484	324	10	reactivity	reactivity	NOUN
eurjchem-2484	324	11	of	of	ADP
eurjchem-2484	324	12	atoms	atom	NOUN
eurjchem-2484	324	13	and	and	CCONJ
eurjchem-2484	324	14	molecules	molecule	NOUN
eurjchem-2484	324	15	.	.	PUNCT
eurjchem-2484	325	1	the	the	PRON
eurjchem-2484	325	2	higher	high	ADJ
eurjchem-2484	325	3	the	the	DET
eurjchem-2484	325	4	ionization	ionization	NOUN
eurjchem-2484	325	5	energy	energy	NOUN
eurjchem-2484	325	6	,	,	PUNCT
eurjchem-2484	325	7	the	the	PRON
eurjchem-2484	325	8	higher	high	ADJ
eurjchem-2484	325	9	the	the	DET
eurjchem-2484	325	10	stability	stability	NOUN
eurjchem-2484	325	11	and	and	CCONJ
eurjchem-2484	325	12	chemical	chemical	NOUN
eurjchem-2484	325	13	inertness	inertness	NOUN
eurjchem-2484	325	14	and	and	CCONJ
eurjchem-2484	325	15	vice	vice	ADV
eurjchem-2484	325	16	versa	versa	ADV
eurjchem-2484	325	17	.	.	PUNCT
eurjchem-2484	326	1	the	the	DET
eurjchem-2484	326	2	ionization	ionization	NOUN
eurjchem-2484	326	3	energy	energy	NOUN
eurjchem-2484	326	4	(	(	PUNCT
eurjchem-2484	326	5	i	i	NOUN
eurjchem-2484	326	6	)	)	PUNCT
eurjchem-2484	326	7	and	and	CCONJ
eurjchem-2484	326	8	the	the	DET
eurjchem-2484	326	9	electron	electron	NOUN
eurjchem-2484	326	10	affinity	affinity	NOUN
eurjchem-2484	326	11	(	(	PUNCT
eurjchem-2484	326	12	a	a	X
eurjchem-2484	326	13	)	)	PUNCT
eurjchem-2484	326	14	can	can	AUX
eurjchem-2484	326	15	be	be	AUX
eurjchem-2484	326	16	expressed	express	VERB
eurjchem-2484	326	17	through	through	ADP
eurjchem-2484	326	18	the	the	DET
eurjchem-2484	326	19	orbital	orbital	ADJ
eurjchem-2484	326	20	energies	energy	NOUN
eurjchem-2484	326	21	of	of	ADP
eurjchem-2484	326	22	homo	homo	NOUN
eurjchem-2484	326	23	and	and	CCONJ
eurjchem-2484	326	24	lumo	lumo	NOUN
eurjchem-2484	326	25	as	as	ADP
eurjchem-2484	326	26	i	i	PRON
eurjchem-2484	326	27	=	=	SYM
eurjchem-2484	326	28	ehomo	ehomo	ADJ
eurjchem-2484	326	29	=	=	SYM
eurjchem-2484	326	30	7.2665	7.2665	NUM
eurjchem-2484	326	31	ev	ev	NOUN
eurjchem-2484	326	32	and	and	CCONJ
eurjchem-2484	326	33	a	a	DET
eurjchem-2484	326	34	=	=	X
eurjchem-2484	326	35	elumo	elumo	NOUN
eurjchem-2484	326	36	=	=	NOUN
eurjchem-2484	326	37	2.1551ev	2.1551ev	X
eurjchem-2484	326	38	.	.	PUNCT
eurjchem-2484	327	1	using	use	VERB
eurjchem-2484	327	2	the	the	DET
eurjchem-2484	327	3	value	value	NOUN
eurjchem-2484	327	4	of	of	ADP
eurjchem-2484	327	5	i	i	PRON
eurjchem-2484	327	6	and	and	CCONJ
eurjchem-2484	327	7	a	a	DET
eurjchem-2484	327	8	,	,	PUNCT
eurjchem-2484	327	9	various	various	ADJ
eurjchem-2484	327	10	properties	property	NOUN
eurjchem-2484	327	11	of	of	ADP
eurjchem-2484	327	12	the	the	DET
eurjchem-2484	327	13	4	4	NUM
eurjchem-2484	327	14	-	-	PUNCT
eurjchem-2484	327	15	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	327	16	complex	complex	NOUN
eurjchem-2484	327	17	have	have	AUX
eurjchem-2484	327	18	been	be	AUX
eurjchem-2484	327	19	calculated	calculate	VERB
eurjchem-2484	327	20	and	and	CCONJ
eurjchem-2484	327	21	are	be	AUX
eurjchem-2484	327	22	reported	report	VERB
eurjchem-2484	327	23	in	in	ADP
eurjchem-2484	327	24	table	table	NOUN
eurjchem-2484	327	25	6	6	NUM
eurjchem-2484	327	26	.	.	SYM
eurjchem-2484	327	27	12	12	NUM
eurjchem-2484	327	28	lata	lata	NOUN
eurjchem-2484	327	29	panicker	panicker	PROPN
eurjchem-2484	327	30	/	/	SYM
eurjchem-2484	327	31	european	european	PROPN
eurjchem-2484	327	32	journal	journal	PROPN
eurjchem-2484	327	33	of	of	ADP
eurjchem-2484	327	34	chemistry	chemistry	NOUN
eurjchem-2484	327	35	15	15	NUM
eurjchem-2484	327	36	(	(	PUNCT
eurjchem-2484	327	37	1	1	NUM
eurjchem-2484	327	38	)	)	PUNCT
eurjchem-2484	327	39	(	(	PUNCT
eurjchem-2484	327	40	2024	2024	NUM
eurjchem-2484	327	41	)	)	PUNCT
eurjchem-2484	327	42	1	1	NUM
eurjchem-2484	327	43	-	-	SYM
eurjchem-2484	327	44	16	16	NUM
eurjchem-2484	327	45	2024	2024	NUM
eurjchem-2484	327	46	–	–	PUNCT
eurjchem-2484	327	47	european	european	ADJ
eurjchem-2484	327	48	journal	journal	NOUN
eurjchem-2484	327	49	of	of	ADP
eurjchem-2484	327	50	chemistry	chemistry	NOUN
eurjchem-2484	327	51	–	–	PUNCT
eurjchem-2484	327	52	cc	cc	NOUN
eurjchem-2484	327	53	by	by	ADP
eurjchem-2484	327	54	nc	nc	PROPN
eurjchem-2484	327	55	–	–	PUNCT
eurjchem-2484	327	56	doi	doi	PROPN
eurjchem-2484	327	57	:	:	PUNCT
eurjchem-2484	327	58	10.5155	10.5155	NUM
eurjchem-2484	327	59	/	/	SYM
eurjchem-2484	327	60	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	327	61	-	-	SYM
eurjchem-2484	327	62	16.2484	16.2484	NUM
eurjchem-2484	327	63	table	table	NOUN
eurjchem-2484	327	64	6	6	NUM
eurjchem-2484	327	65	.	.	PUNCT
eurjchem-2484	328	1	theoretically	theoretically	ADV
eurjchem-2484	328	2	calculated	calculate	VERB
eurjchem-2484	328	3	i	i	PROPN
eurjchem-2484	328	4	,	,	PUNCT
eurjchem-2484	328	5	a	a	DET
eurjchem-2484	328	6	,	,	PUNCT
eurjchem-2484	328	7	δe	δe	PROPN
eurjchem-2484	328	8	,	,	PUNCT
eurjchem-2484	328	9	η	η	NOUN
eurjchem-2484	328	10	,	,	PUNCT
eurjchem-2484	328	11	χ	χ	PROPN
eurjchem-2484	328	12	,	,	PUNCT
eurjchem-2484	328	13	μ	μ	PROPN
eurjchem-2484	328	14	,	,	PUNCT
eurjchem-2484	328	15	ω	ω	PROPN
eurjchem-2484	328	16	,	,	PUNCT
eurjchem-2484	328	17	s	s	X
eurjchem-2484	328	18	,	,	PUNCT
eurjchem-2484	328	19	and	and	CCONJ
eurjchem-2484	328	20	δnmax	δnmax	ADV
eurjchem-2484	328	21	of	of	ADP
eurjchem-2484	328	22	4	4	NUM
eurjchem-2484	328	23	-	-	PUNCT
eurjchem-2484	328	24	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	328	25	using	use	VERB
eurjchem-2484	328	26	the	the	DET
eurjchem-2484	328	27	orbital	orbital	ADJ
eurjchem-2484	328	28	energies	energy	NOUN
eurjchem-2484	328	29	of	of	ADP
eurjchem-2484	328	30	homo	homo	NOUN
eurjchem-2484	328	31	and	and	CCONJ
eurjchem-2484	328	32	lumo	lumo	NOUN
eurjchem-2484	328	33	.	.	PUNCT
eurjchem-2484	329	1	ionization	ionization	NOUN
eurjchem-2484	329	2	energy	energy	NOUN
eurjchem-2484	329	3	(	(	PUNCT
eurjchem-2484	329	4	i	i	NOUN
eurjchem-2484	329	5	)	)	PUNCT
eurjchem-2484	330	1	i	i	PRON
eurjchem-2484	330	2	=	=	PUNCT
eurjchem-2484	330	3	ehomo	ehomo	ADJ
eurjchem-2484	330	4	7.2665	7.2665	NUM
eurjchem-2484	330	5	ev	ev	NOUN
eurjchem-2484	330	6	electron	electron	NOUN
eurjchem-2484	330	7	affinity	affinity	NOUN
eurjchem-2484	330	8	(	(	PUNCT
eurjchem-2484	330	9	a	a	X
eurjchem-2484	330	10	)	)	PUNCT
eurjchem-2484	330	11	a	a	DET
eurjchem-2484	330	12	=	=	PUNCT
eurjchem-2484	330	13	elumo	elumo	ADJ
eurjchem-2484	330	14	2.1551ev	2.1551ev	NUM
eurjchem-2484	330	15	energy	energy	NOUN
eurjchem-2484	330	16	gap	gap	NOUN
eurjchem-2484	330	17	(	(	PUNCT
eurjchem-2484	330	18	δe	δe	NOUN
eurjchem-2484	330	19	)	)	PUNCT
eurjchem-2484	330	20	δe	δe	NOUN
eurjchem-2484	330	21	=	=	PUNCT
eurjchem-2484	330	22	elumo	elumo	ADJ
eurjchem-2484	330	23	-	-	PUNCT
eurjchem-2484	330	24	ehomo	ehomo	NOUN
eurjchem-2484	330	25	5.1114	5.1114	NUM
eurjchem-2484	330	26	ev	ev	INTJ
eurjchem-2484	330	27	global	global	ADJ
eurjchem-2484	330	28	hardness	hardness	NOUN
eurjchem-2484	330	29	(	(	PUNCT
eurjchem-2484	330	30	η	η	NOUN
eurjchem-2484	330	31	)	)	PUNCT
eurjchem-2484	330	32	η	η	PROPN
eurjchem-2484	330	33	=	=	SYM
eurjchem-2484	330	34	(	(	PUNCT
eurjchem-2484	330	35	i	i	PROPN
eurjchem-2484	330	36	-	-	PUNCT
eurjchem-2484	330	37	a)/2	a)/2	PROPN
eurjchem-2484	330	38	2.5557	2.5557	NUM
eurjchem-2484	330	39	ev	ev	ADP
eurjchem-2484	330	40	electronegativity	electronegativity	NOUN
eurjchem-2484	330	41	(	(	PUNCT
eurjchem-2484	330	42	χ	χ	NOUN
eurjchem-2484	330	43	)	)	PUNCT
eurjchem-2484	330	44	χ	χ	NOUN
eurjchem-2484	330	45	=	=	SYM
eurjchem-2484	330	46	(	(	PUNCT
eurjchem-2484	330	47	i+a	i+a	NOUN
eurjchem-2484	330	48	)	)	PUNCT
eurjchem-2484	330	49	/2	/2	PUNCT
eurjchem-2484	331	1	4.7111	4.7111	NUM
eurjchem-2484	331	2	ev	ev	ADP
eurjchem-2484	331	3	electronic	electronic	ADJ
eurjchem-2484	331	4	chemical	chemical	NOUN
eurjchem-2484	331	5	potential	potential	NOUN
eurjchem-2484	331	6	(	(	PUNCT
eurjchem-2484	331	7	μ	μ	NOUN
eurjchem-2484	331	8	)	)	PUNCT
eurjchem-2484	331	9	μ	μ	PROPN
eurjchem-2484	331	10	=	=	SYM
eurjchem-2484	332	1	-(ehomo+elumo)/2	-(ehomo+elumo)/2	PROPN
eurjchem-2484	332	2	4.7108	4.7108	NUM
eurjchem-2484	332	3	ev	ev	ADP
eurjchem-2484	332	4	global	global	ADJ
eurjchem-2484	332	5	electrophilicity	electrophilicity	NOUN
eurjchem-2484	332	6	index	index	NOUN
eurjchem-2484	332	7	(	(	PUNCT
eurjchem-2484	332	8	ω	ω	NOUN
eurjchem-2484	332	9	)	)	PUNCT
eurjchem-2484	332	10	ω	ω	NOUN
eurjchem-2484	332	11	=	=	SYM
eurjchem-2484	332	12	-(μ2/2η	-(μ2/2η	PROPN
eurjchem-2484	332	13	)	)	PUNCT
eurjchem-2484	332	14	-4.3394	-4.3394	NOUN
eurjchem-2484	332	15	ev	ev	ADP
eurjchem-2484	332	16	global	global	ADJ
eurjchem-2484	332	17	softness	softness	NOUN
eurjchem-2484	332	18	(	(	PUNCT
eurjchem-2484	332	19	s	s	NOUN
eurjchem-2484	332	20	)	)	PUNCT
eurjchem-2484	332	21	s	s	PART
eurjchem-2484	332	22	=	=	SYM
eurjchem-2484	332	23	(	(	PUNCT
eurjchem-2484	332	24	1/	1/	NUM
eurjchem-2484	332	25	η	η	NOUN
eurjchem-2484	332	26	)	)	PUNCT
eurjchem-2484	332	27	0.3913	0.3913	NUM
eurjchem-2484	332	28	ev-1	ev-1	X
eurjchem-2484	332	29	maximum	maximum	ADJ
eurjchem-2484	332	30	amount	amount	NOUN
eurjchem-2484	332	31	of	of	ADP
eurjchem-2484	332	32	electronic	electronic	ADJ
eurjchem-2484	332	33	charge	charge	NOUN
eurjchem-2484	332	34	that	that	SCONJ
eurjchem-2484	332	35	the	the	DET
eurjchem-2484	332	36	electrophile	electrophile	ADJ
eurjchem-2484	332	37	system	system	NOUN
eurjchem-2484	332	38	may	may	AUX
eurjchem-2484	332	39	accept	accept	VERB
eurjchem-2484	332	40	(	(	PUNCT
eurjchem-2484	332	41	δnmax	δnmax	ADJ
eurjchem-2484	332	42	)	)	PUNCT
eurjchem-2484	332	43	δnmax	δnmax	NOUN
eurjchem-2484	332	44	=	=	SYM
eurjchem-2484	332	45	-μ	-μ	X
eurjchem-2484	332	46	/	/	SYM
eurjchem-2484	332	47	η	η	PROPN
eurjchem-2484	332	48	1.8432	1.8432	NUM
eurjchem-2484	332	49	figure	figure	NOUN
eurjchem-2484	332	50	14	14	NUM
eurjchem-2484	332	51	.	.	PUNCT
eurjchem-2484	333	1	calculated	calculate	VERB
eurjchem-2484	333	2	molecular	molecular	ADJ
eurjchem-2484	333	3	orbital	orbital	ADJ
eurjchem-2484	333	4	surfaces	surface	NOUN
eurjchem-2484	333	5	,	,	PUNCT
eurjchem-2484	333	6	its	its	PRON
eurjchem-2484	333	7	contour	contour	NOUN
eurjchem-2484	333	8	diagram	diagram	NOUN
eurjchem-2484	333	9	,	,	PUNCT
eurjchem-2484	333	10	and	and	CCONJ
eurjchem-2484	333	11	the	the	DET
eurjchem-2484	333	12	band	band	NOUN
eurjchem-2484	333	13	gap	gap	NOUN
eurjchem-2484	333	14	of	of	ADP
eurjchem-2484	333	15	the	the	DET
eurjchem-2484	333	16	homo	homo	NOUN
eurjchem-2484	333	17	and	and	CCONJ
eurjchem-2484	333	18	lumo	lumo	NOUN
eurjchem-2484	333	19	orbital	orbital	NOUN
eurjchem-2484	333	20	in	in	ADP
eurjchem-2484	333	21	4	4	NUM
eurjchem-2484	333	22	-	-	PUNCT
eurjchem-2484	333	23	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	333	24	at	at	ADP
eurjchem-2484	333	25	the	the	DET
eurjchem-2484	333	26	b3lyp/6	b3lyp/6	NOUN
eurjchem-2484	333	27	-	-	PROPN
eurjchem-2484	333	28	31	31	NUM
eurjchem-2484	333	29	g	g	NOUN
eurjchem-2484	333	30	level	level	NOUN
eurjchem-2484	333	31	.	.	PUNCT
eurjchem-2484	334	1	(	(	PUNCT
eurjchem-2484	334	2	a	a	X
eurjchem-2484	334	3	)	)	PUNCT
eurjchem-2484	334	4	(	(	PUNCT
eurjchem-2484	334	5	b	b	X
eurjchem-2484	334	6	)	)	PUNCT
eurjchem-2484	334	7	figure	figure	NOUN
eurjchem-2484	334	8	15	15	NUM
eurjchem-2484	334	9	.	.	PUNCT
eurjchem-2484	335	1	theoretically	theoretically	ADV
eurjchem-2484	335	2	calculated	calculate	VERB
eurjchem-2484	335	3	ir	ir	PROPN
eurjchem-2484	335	4	spectra	spectra	NOUN
eurjchem-2484	335	5	of	of	ADP
eurjchem-2484	335	6	(	(	PUNCT
eurjchem-2484	335	7	a	a	PRON
eurjchem-2484	335	8	)	)	PUNCT
eurjchem-2484	335	9	4	4	NUM
eurjchem-2484	335	10	-	-	PUNCT
eurjchem-2484	335	11	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	335	12	and	and	CCONJ
eurjchem-2484	335	13	(	(	PUNCT
eurjchem-2484	335	14	b	b	NOUN
eurjchem-2484	335	15	)	)	PUNCT
eurjchem-2484	335	16	d4	d4	PROPN
eurjchem-2484	335	17	-	-	PUNCT
eurjchem-2484	335	18	cah2po4·h2o	cah2po4·h2o	PROPN
eurjchem-2484	335	19	in	in	ADP
eurjchem-2484	335	20	(	(	PUNCT
eurjchem-2484	335	21	a	a	X
eurjchem-2484	335	22	)	)	PUNCT
eurjchem-2484	335	23	4000	4000	NUM
eurjchem-2484	335	24	-	-	SYM
eurjchem-2484	335	25	1850	1850	NUM
eurjchem-2484	335	26	cm-1	cm-1	X
eurjchem-2484	335	27	and	and	CCONJ
eurjchem-2484	335	28	(	(	PUNCT
eurjchem-2484	335	29	b	b	NOUN
eurjchem-2484	335	30	)	)	PUNCT
eurjchem-2484	335	31	1850	1850	NUM
eurjchem-2484	335	32	-	-	SYM
eurjchem-2484	335	33	650	650	NUM
eurjchem-2484	335	34	cm-1	cm-1	NOUN
eurjchem-2484	335	35	.	.	PUNCT
eurjchem-2484	336	1	the	the	DET
eurjchem-2484	336	2	vibration	vibration	NOUN
eurjchem-2484	336	3	mode	mode	NOUN
eurjchem-2484	336	4	assigned	assign	VERB
eurjchem-2484	336	5	is	be	AUX
eurjchem-2484	336	6	done	do	VERB
eurjchem-2484	336	7	using	use	VERB
eurjchem-2484	336	8	gaussian	gaussian	NOUN
eurjchem-2484	336	9	09w	09w	NOUN
eurjchem-2484	336	10	.	.	PUNCT
eurjchem-2484	337	1	3.6.2	3.6.2	X
eurjchem-2484	337	2	.	.	PUNCT
eurjchem-2484	337	3	vibrational	vibrational	ADJ
eurjchem-2484	337	4	spectra	spectra	NOUN
eurjchem-2484	337	5	of	of	ADP
eurjchem-2484	337	6	4	4	NUM
eurjchem-2484	337	7	-	-	PUNCT
eurjchem-2484	337	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	337	9	the	the	DET
eurjchem-2484	337	10	vibrational	vibrational	ADJ
eurjchem-2484	337	11	spectra	spectra	NOUN
eurjchem-2484	337	12	of	of	ADP
eurjchem-2484	337	13	4	4	NUM
eurjchem-2484	337	14	-	-	PUNCT
eurjchem-2484	337	15	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	337	16	and	and	CCONJ
eurjchem-2484	337	17	d4cah2po4·h2o	d4cah2po4·h2o	NOUN
eurjchem-2484	337	18	(	(	PUNCT
eurjchem-2484	337	19	the	the	DET
eurjchem-2484	337	20	deuterated	deuterate	VERB
eurjchem-2484	337	21	functional	functional	ADJ
eurjchem-2484	337	22	group	group	NOUN
eurjchem-2484	337	23	)	)	PUNCT
eurjchem-2484	337	24	were	be	AUX
eurjchem-2484	337	25	obtained	obtain	VERB
eurjchem-2484	337	26	using	use	VERB
eurjchem-2484	337	27	the	the	DET
eurjchem-2484	337	28	gaussian	gaussian	ADJ
eurjchem-2484	337	29	09	09	NUM
eurjchem-2484	337	30	program	program	NOUN
eurjchem-2484	337	31	with	with	ADP
eurjchem-2484	337	32	dft	dft	PROPN
eurjchem-2484	337	33	/	/	SYM
eurjchem-2484	337	34	b3lyp	b3lyp	NOUN
eurjchem-2484	337	35	level	level	NOUN
eurjchem-2484	337	36	and	and	CCONJ
eurjchem-2484	337	37	631	631	NUM
eurjchem-2484	337	38	g	g	NOUN
eurjchem-2484	337	39	basis	basis	NOUN
eurjchem-2484	337	40	set	set	NOUN
eurjchem-2484	337	41	.	.	PUNCT
eurjchem-2484	338	1	the	the	DET
eurjchem-2484	338	2	assignment	assignment	NOUN
eurjchem-2484	338	3	of	of	ADP
eurjchem-2484	338	4	different	different	ADJ
eurjchem-2484	338	5	vibration	vibration	NOUN
eurjchem-2484	338	6	modes	mode	NOUN
eurjchem-2484	338	7	seen	see	VERB
eurjchem-2484	338	8	in	in	ADP
eurjchem-2484	338	9	the	the	DET
eurjchem-2484	338	10	calculated	calculate	VERB
eurjchem-2484	338	11	ir	ir	PROPN
eurjchem-2484	338	12	spectra	spectra	NOUN
eurjchem-2484	338	13	of	of	ADP
eurjchem-2484	338	14	4	4	NUM
eurjchem-2484	338	15	-	-	PUNCT
eurjchem-2484	338	16	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	338	17	is	be	AUX
eurjchem-2484	338	18	given	give	VERB
eurjchem-2484	338	19	in	in	ADP
eurjchem-2484	338	20	table	table	NOUN
eurjchem-2484	338	21	5	5	NUM
eurjchem-2484	338	22	.	.	PUNCT
eurjchem-2484	339	1	the	the	DET
eurjchem-2484	339	2	experimentally	experimentally	ADV
eurjchem-2484	339	3	and	and	CCONJ
eurjchem-2484	339	4	theoretically	theoretically	ADV
eurjchem-2484	339	5	obtained	obtain	VERB
eurjchem-2484	339	6	spectra	spectra	NOUN
eurjchem-2484	339	7	were	be	AUX
eurjchem-2484	339	8	quite	quite	ADV
eurjchem-2484	339	9	similar	similar	ADJ
eurjchem-2484	339	10	but	but	CCONJ
eurjchem-2484	339	11	with	with	ADP
eurjchem-2484	339	12	a	a	DET
eurjchem-2484	339	13	shift	shift	NOUN
eurjchem-2484	339	14	in	in	ADP
eurjchem-2484	339	15	the	the	DET
eurjchem-2484	339	16	frequency	frequency	NOUN
eurjchem-2484	339	17	value	value	NOUN
eurjchem-2484	339	18	.	.	PUNCT
eurjchem-2484	340	1	however	however	ADV
eurjchem-2484	340	2	,	,	PUNCT
eurjchem-2484	340	3	the	the	DET
eurjchem-2484	340	4	experimentally	experimentally	ADV
eurjchem-2484	340	5	obtained	obtain	VERB
eurjchem-2484	340	6	spectra	spectra	NOUN
eurjchem-2484	340	7	were	be	AUX
eurjchem-2484	340	8	broad	broad	ADJ
eurjchem-2484	340	9	as	as	SCONJ
eurjchem-2484	340	10	the	the	DET
eurjchem-2484	340	11	measurement	measurement	NOUN
eurjchem-2484	340	12	was	be	AUX
eurjchem-2484	340	13	done	do	VERB
eurjchem-2484	340	14	on	on	ADP
eurjchem-2484	340	15	the	the	DET
eurjchem-2484	340	16	bulk	bulk	ADJ
eurjchem-2484	340	17	sample	sample	NOUN
eurjchem-2484	340	18	,	,	PUNCT
eurjchem-2484	340	19	and	and	CCONJ
eurjchem-2484	340	20	the	the	DET
eurjchem-2484	340	21	calculated	calculate	VERB
eurjchem-2484	340	22	ir	ir	PROPN
eurjchem-2484	340	23	was	be	AUX
eurjchem-2484	340	24	obtained	obtain	VERB
eurjchem-2484	340	25	assuming	assume	VERB
eurjchem-2484	340	26	that	that	SCONJ
eurjchem-2484	340	27	the	the	DET
eurjchem-2484	340	28	molecule	molecule	NOUN
eurjchem-2484	340	29	was	be	AUX
eurjchem-2484	340	30	isolated	isolate	VERB
eurjchem-2484	340	31	and	and	CCONJ
eurjchem-2484	340	32	in	in	ADP
eurjchem-2484	340	33	the	the	DET
eurjchem-2484	340	34	gas	gas	NOUN
eurjchem-2484	340	35	phase	phase	NOUN
eurjchem-2484	340	36	.	.	PUNCT
eurjchem-2484	341	1	figures	figure	NOUN
eurjchem-2484	341	2	15a	15a	NOUN
eurjchem-2484	341	3	and	and	CCONJ
eurjchem-2484	341	4	15b	15b	NOUN
eurjchem-2484	341	5	show	show	VERB
eurjchem-2484	341	6	the	the	DET
eurjchem-2484	341	7	theoretically	theoretically	ADV
eurjchem-2484	341	8	calculated	calculate	VERB
eurjchem-2484	341	9	ir	ir	PROPN
eurjchem-2484	341	10	spectra	spectra	NOUN
eurjchem-2484	341	11	of	of	ADP
eurjchem-2484	341	12	4	4	NUM
eurjchem-2484	341	13	-	-	PUNCT
eurjchem-2484	341	14	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	341	15	and	and	CCONJ
eurjchem-2484	341	16	d4	d4	PROPN
eurjchem-2484	341	17	-	-	PUNCT
eurjchem-2484	341	18	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	341	19	with	with	ADP
eurjchem-2484	341	20	the	the	DET
eurjchem-2484	341	21	vibration	vibration	NOUN
eurjchem-2484	341	22	mode	mode	NOUN
eurjchem-2484	341	23	assigned	assign	VERB
eurjchem-2484	341	24	using	use	VERB
eurjchem-2484	341	25	gaussian	gaussian	NOUN
eurjchem-2484	341	26	09w	09w	NOUN
eurjchem-2484	341	27	.	.	PUNCT
eurjchem-2484	342	1	the	the	DET
eurjchem-2484	342	2	4cah2po4·h2o	4cah2po4·h2o	PROPN
eurjchem-2484	342	3	molecule	molecule	NOUN
eurjchem-2484	342	4	has	have	VERB
eurjchem-2484	342	5	five	five	NUM
eurjchem-2484	342	6	functional	functional	ADJ
eurjchem-2484	342	7	groups	group	NOUN
eurjchem-2484	342	8	:	:	PUNCT
eurjchem-2484	342	9	a	a	DET
eurjchem-2484	342	10	parasubstituted	parasubstitute	VERB
eurjchem-2484	342	11	benzene	benzene	NOUN
eurjchem-2484	342	12	ring	ring	NOUN
eurjchem-2484	342	13	,	,	PUNCT
eurjchem-2484	342	14	-nh3	-nh3	PUNCT
eurjchem-2484	342	15	+	+	ADJ
eurjchem-2484	342	16	,	,	PUNCT
eurjchem-2484	342	17	-cooh	-cooh	ADJ
eurjchem-2484	342	18	,	,	PUNCT
eurjchem-2484	342	19	-oh	-oh	INTJ
eurjchem-2484	342	20	(	(	PUNCT
eurjchem-2484	342	21	water	water	NOUN
eurjchem-2484	342	22	)	)	PUNCT
eurjchem-2484	342	23	,	,	PUNCT
eurjchem-2484	342	24	and	and	CCONJ
eurjchem-2484	342	25	h2po4–.	h2po4–.	VERB
eurjchem-2484	342	26	the	the	DET
eurjchem-2484	342	27	functional	functional	ADJ
eurjchem-2484	342	28	groups	group	NOUN
eurjchem-2484	342	29	in	in	ADP
eurjchem-2484	342	30	d4	d4	PROPN
eurjchem-2484	342	31	-	-	PUNCT
eurjchem-2484	342	32	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	342	33	were	be	AUX
eurjchem-2484	342	34	deuterated	deuterate	VERB
eurjchem-2484	342	35	,	,	PUNCT
eurjchem-2484	342	36	-nd3	-nd3	PROPN
eurjchem-2484	342	37	+	+	ADJ
eurjchem-2484	342	38	,	,	PUNCT
eurjchem-2484	342	39	-cood	-cood	ADJ
eurjchem-2484	342	40	,	,	PUNCT
eurjchem-2484	342	41	-od	-od	ADJ
eurjchem-2484	342	42	(	(	PUNCT
eurjchem-2484	342	43	water	water	NOUN
eurjchem-2484	342	44	)	)	PUNCT
eurjchem-2484	342	45	,	,	PUNCT
eurjchem-2484	342	46	and	and	CCONJ
eurjchem-2484	342	47	-pod	-pod	ADJ
eurjchem-2484	342	48	.	.	PUNCT
eurjchem-2484	343	1	in	in	ADP
eurjchem-2484	343	2	the	the	DET
eurjchem-2484	343	3	40001850	40001850	NUM
eurjchem-2484	343	4	cm-1	cm-1	NOUN
eurjchem-2484	343	5	region	region	NOUN
eurjchem-2484	343	6	,	,	PUNCT
eurjchem-2484	343	7	the	the	DET
eurjchem-2484	343	8	prominent	prominent	ADJ
eurjchem-2484	343	9	stretching	stretch	VERB
eurjchem-2484	343	10	modes	mode	NOUN
eurjchem-2484	343	11	of	of	ADP
eurjchem-2484	343	12	the	the	DET
eurjchem-2484	343	13	functional	functional	ADJ
eurjchem-2484	343	14	groups	group	NOUN
eurjchem-2484	343	15	-nh3	-nh3	PUNCT
eurjchem-2484	343	16	+	+	ADJ
eurjchem-2484	343	17	,	,	PUNCT
eurjchem-2484	343	18	-cooh	-cooh	ADJ
eurjchem-2484	343	19	,	,	PUNCT
eurjchem-2484	343	20	-oh	-oh	NOUN
eurjchem-2484	343	21	,	,	PUNCT
eurjchem-2484	343	22	and	and	CCONJ
eurjchem-2484	343	23	h2po4	h2po4	NOUN
eurjchem-2484	343	24	–	–	PUNCT
eurjchem-2484	343	25	are	be	AUX
eurjchem-2484	343	26	seen	see	VERB
eurjchem-2484	343	27	that	that	PRON
eurjchem-2484	343	28	get	get	AUX
eurjchem-2484	343	29	shifted	shift	VERB
eurjchem-2484	343	30	to	to	ADP
eurjchem-2484	343	31	a	a	DET
eurjchem-2484	343	32	higher	high	ADJ
eurjchem-2484	343	33	frequency	frequency	NOUN
eurjchem-2484	343	34	on	on	ADP
eurjchem-2484	343	35	deuteration	deuteration	NOUN
eurjchem-2484	343	36	(	(	PUNCT
eurjchem-2484	343	37	figure	figure	NOUN
eurjchem-2484	343	38	15a	15a	NOUN
eurjchem-2484	343	39	)	)	PUNCT
eurjchem-2484	343	40	.	.	PUNCT
eurjchem-2484	344	1	similar	similar	ADJ
eurjchem-2484	344	2	behavior	behavior	NOUN
eurjchem-2484	344	3	is	be	AUX
eurjchem-2484	344	4	seen	see	VERB
eurjchem-2484	344	5	in	in	ADP
eurjchem-2484	344	6	the	the	DET
eurjchem-2484	344	7	1850	1850	NUM
eurjchem-2484	344	8	-	-	SYM
eurjchem-2484	344	9	650	650	NUM
eurjchem-2484	344	10	cm-1	cm-1	NOUN
eurjchem-2484	344	11	region	region	NOUN
eurjchem-2484	344	12	,	,	PUNCT
eurjchem-2484	344	13	where	where	SCONJ
eurjchem-2484	344	14	in	in	ADP
eurjchem-2484	344	15	the	the	DET
eurjchem-2484	344	16	deuterated	deuterate	VERB
eurjchem-2484	344	17	counterpart	counterpart	NOUN
eurjchem-2484	344	18	the	the	DET
eurjchem-2484	344	19	frequency	frequency	NOUN
eurjchem-2484	344	20	is	be	AUX
eurjchem-2484	344	21	shifted	shift	VERB
eurjchem-2484	344	22	to	to	ADP
eurjchem-2484	344	23	a	a	DET
eurjchem-2484	344	24	higher	high	ADJ
eurjchem-2484	344	25	value	value	NOUN
eurjchem-2484	344	26	.	.	PUNCT
eurjchem-2484	345	1	the	the	DET
eurjchem-2484	345	2	vibration	vibration	NOUN
eurjchem-2484	345	3	modes	mode	NOUN
eurjchem-2484	345	4	of	of	ADP
eurjchem-2484	345	5	the	the	DET
eurjchem-2484	345	6	c	c	PROPN
eurjchem-2484	345	7	=	=	NOUN
eurjchem-2484	345	8	o	o	NOUN
eurjchem-2484	345	9	and	and	CCONJ
eurjchem-2484	345	10	p	p	X
eurjchem-2484	345	11	=	=	NOUN
eurjchem-2484	345	12	o	o	X
eurjchem-2484	345	13	and	and	CCONJ
eurjchem-2484	345	14	the	the	DET
eurjchem-2484	345	15	benzene	benzene	NOUN
eurjchem-2484	345	16	ring	ring	NOUN
eurjchem-2484	345	17	are	be	AUX
eurjchem-2484	345	18	hardly	hardly	ADV
eurjchem-2484	345	19	affected	affect	VERB
eurjchem-2484	345	20	by	by	ADP
eurjchem-2484	345	21	deuteration	deuteration	NOUN
eurjchem-2484	345	22	.	.	PUNCT
eurjchem-2484	346	1	thus	thus	ADV
eurjchem-2484	346	2	,	,	PUNCT
eurjchem-2484	346	3	a	a	DET
eurjchem-2484	346	4	very	very	ADV
eurjchem-2484	346	5	good	good	ADJ
eurjchem-2484	346	6	correlation	correlation	NOUN
eurjchem-2484	346	7	could	could	AUX
eurjchem-2484	346	8	be	be	AUX
eurjchem-2484	346	9	seen	see	VERB
eurjchem-2484	346	10	between	between	ADP
eurjchem-2484	346	11	the	the	DET
eurjchem-2484	346	12	experimentally	experimentally	ADV
eurjchem-2484	346	13	and	and	CCONJ
eurjchem-2484	346	14	theoretically	theoretically	ADV
eurjchem-2484	346	15	obtained	obtain	VERB
eurjchem-2484	346	16	spectra	spectra	NOUN
eurjchem-2484	346	17	of	of	ADP
eurjchem-2484	346	18	4	4	NUM
eurjchem-2484	346	19	-	-	PUNCT
eurjchem-2484	346	20	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	346	21	.	.	NOUN
eurjchem-2484	346	22	3.7	3.7	NUM
eurjchem-2484	346	23	.	.	PUNCT
eurjchem-2484	347	1	non	non	ADJ
eurjchem-2484	347	2	-	-	ADJ
eurjchem-2484	347	3	covalent	covalent	ADJ
eurjchem-2484	347	4	interaction	interaction	NOUN
eurjchem-2484	347	5	(	(	PUNCT
eurjchem-2484	347	6	nci	nci	PROPN
eurjchem-2484	347	7	)	)	PUNCT
eurjchem-2484	347	8	and	and	CCONJ
eurjchem-2484	347	9	quantum	quantum	NOUN
eurjchem-2484	347	10	theory	theory	NOUN
eurjchem-2484	347	11	of	of	ADP
eurjchem-2484	347	12	atom	atom	NOUN
eurjchem-2484	347	13	in	in	ADP
eurjchem-2484	347	14	molecule	molecule	NOUN
eurjchem-2484	347	15	(	(	PUNCT
eurjchem-2484	347	16	qtaim	qtaim	NOUN
eurjchem-2484	347	17	)	)	PUNCT
eurjchem-2484	347	18	analysis	analysis	NOUN
eurjchem-2484	347	19	3.7.1	3.7.1	NUM
eurjchem-2484	347	20	.	.	PUNCT
eurjchem-2484	348	1	non	non	ADJ
eurjchem-2484	348	2	-	-	ADJ
eurjchem-2484	348	3	covalent	covalent	ADJ
eurjchem-2484	348	4	interaction	interaction	NOUN
eurjchem-2484	348	5	analysis	analysis	NOUN
eurjchem-2484	348	6	the	the	DET
eurjchem-2484	348	7	noncovalent	noncovalent	NOUN
eurjchem-2484	348	8	interaction	interaction	NOUN
eurjchem-2484	348	9	(	(	PUNCT
eurjchem-2484	348	10	nci	nci	PROPN
eurjchem-2484	348	11	)	)	PUNCT
eurjchem-2484	348	12	,	,	PUNCT
eurjchem-2484	348	13	also	also	ADV
eurjchem-2484	348	14	known	know	VERB
eurjchem-2484	348	15	as	as	ADP
eurjchem-2484	348	16	reduced	reduce	VERB
eurjchem-2484	348	17	density	density	NOUN
eurjchem-2484	348	18	gradient	gradient	NOUN
eurjchem-2484	348	19	(	(	PUNCT
eurjchem-2484	348	20	rdg	rdg	NOUN
eurjchem-2484	348	21	)	)	PUNCT
eurjchem-2484	348	22	,	,	PUNCT
eurjchem-2484	348	23	is	be	AUX
eurjchem-2484	348	24	a	a	DET
eurjchem-2484	348	25	methodology	methodology	NOUN
eurjchem-2484	348	26	to	to	PART
eurjchem-2484	348	27	identify	identify	VERB
eurjchem-2484	348	28	and	and	CCONJ
eurjchem-2484	348	29	visualize	visualize	VERB
eurjchem-2484	348	30	weak	weak	ADJ
eurjchem-2484	348	31	interactions	interaction	NOUN
eurjchem-2484	348	32	such	such	ADJ
eurjchem-2484	348	33	as	as	ADP
eurjchem-2484	348	34	van	van	PROPN
eurjchem-2484	348	35	der	der	NOUN
eurjchem-2484	348	36	waals	waal	NOUN
eurjchem-2484	348	37	,	,	PUNCT
eurjchem-2484	348	38	hydrogen	hydrogen	NOUN
eurjchem-2484	348	39	bonds	bond	NOUN
eurjchem-2484	348	40	,	,	PUNCT
eurjchem-2484	348	41	and	and	CCONJ
eurjchem-2484	348	42	steric	steric	ADJ
eurjchem-2484	348	43	clashes	clash	NOUN
eurjchem-2484	348	44	within	within	ADP
eurjchem-2484	348	45	molecules	molecule	NOUN
eurjchem-2484	348	46	[	[	X
eurjchem-2484	348	47	41	41	NUM
eurjchem-2484	348	48	]	]	PUNCT
eurjchem-2484	348	49	.	.	PUNCT
eurjchem-2484	349	1	the	the	DET
eurjchem-2484	349	2	rdg	rdg	NOUN
eurjchem-2484	349	3	for	for	ADP
eurjchem-2484	349	4	the	the	DET
eurjchem-2484	349	5	molecules	molecule	NOUN
eurjchem-2484	349	6	can	can	AUX
eurjchem-2484	349	7	be	be	AUX
eurjchem-2484	349	8	calculated	calculate	VERB
eurjchem-2484	349	9	using	use	VERB
eurjchem-2484	349	10	the	the	DET
eurjchem-2484	349	11	electron	electron	NOUN
eurjchem-2484	349	12	density	density	NOUN
eurjchem-2484	349	13	and	and	CCONJ
eurjchem-2484	349	14	its	its	PRON
eurjchem-2484	349	15	first	first	ADJ
eurjchem-2484	349	16	derivative	derivative	NOUN
eurjchem-2484	349	17	,	,	PUNCT
eurjchem-2484	349	18	as	as	SCONJ
eurjchem-2484	349	19	given	give	VERB
eurjchem-2484	349	20	in	in	ADP
eurjchem-2484	349	21	equation	equation	NOUN
eurjchem-2484	349	22	1	1	NUM
eurjchem-2484	349	23	.	.	PUNCT
eurjchem-2484	350	1	thus	thus	ADV
eurjchem-2484	350	2	,	,	PUNCT
eurjchem-2484	350	3	the	the	DET
eurjchem-2484	350	4	rdg(r	rdg(r	PROPN
eurjchem-2484	350	5	)	)	PUNCT
eurjchem-2484	350	6	function	function	NOUN
eurjchem-2484	350	7	is	be	AUX
eurjchem-2484	350	8	a	a	DET
eurjchem-2484	350	9	dimensionless	dimensionless	NOUN
eurjchem-2484	350	10	form	form	NOUN
eurjchem-2484	350	11	of	of	ADP
eurjchem-2484	350	12	the	the	DET
eurjchem-2484	350	13	electron	electron	NOUN
eurjchem-2484	350	14	density	density	NOUN
eurjchem-2484	350	15	gradient	gradient	NOUN
eurjchem-2484	350	16	norm	norm	NOUN
eurjchem-2484	350	17	function	function	NOUN
eurjchem-2484	350	18	,	,	PUNCT
eurjchem-2484	350	19	used	use	VERB
eurjchem-2484	350	20	to	to	PART
eurjchem-2484	350	21	describe	describe	VERB
eurjchem-2484	350	22	the	the	DET
eurjchem-2484	350	23	deviation	deviation	NOUN
eurjchem-2484	350	24	from	from	ADP
eurjchem-2484	350	25	the	the	DET
eurjchem-2484	350	26	lata	lata	PROPN
eurjchem-2484	350	27	panicker	panicker	PROPN
eurjchem-2484	350	28	/	/	SYM
eurjchem-2484	350	29	european	european	PROPN
eurjchem-2484	350	30	journal	journal	PROPN
eurjchem-2484	350	31	of	of	ADP
eurjchem-2484	350	32	chemistry	chemistry	NOUN
eurjchem-2484	350	33	15	15	NUM
eurjchem-2484	350	34	(	(	PUNCT
eurjchem-2484	350	35	1	1	NUM
eurjchem-2484	350	36	)	)	PUNCT
eurjchem-2484	350	37	(	(	PUNCT
eurjchem-2484	350	38	2024	2024	NUM
eurjchem-2484	350	39	)	)	PUNCT
eurjchem-2484	350	40	1	1	NUM
eurjchem-2484	350	41	-	-	SYM
eurjchem-2484	350	42	16	16	NUM
eurjchem-2484	350	43	13	13	NUM
eurjchem-2484	350	44	2024	2024	NUM
eurjchem-2484	350	45	–	–	PUNCT
eurjchem-2484	350	46	european	european	ADJ
eurjchem-2484	350	47	journal	journal	NOUN
eurjchem-2484	350	48	of	of	ADP
eurjchem-2484	350	49	chemistry	chemistry	NOUN
eurjchem-2484	350	50	–	–	PUNCT
eurjchem-2484	350	51	cc	cc	NOUN
eurjchem-2484	350	52	by	by	ADP
eurjchem-2484	350	53	nc	nc	PROPN
eurjchem-2484	350	54	–	–	PUNCT
eurjchem-2484	350	55	doi	doi	PROPN
eurjchem-2484	350	56	:	:	PUNCT
eurjchem-2484	350	57	10.5155	10.5155	NUM
eurjchem-2484	350	58	/	/	SYM
eurjchem-2484	350	59	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	350	60	-	-	SYM
eurjchem-2484	350	61	16.2484	16.2484	NUM
eurjchem-2484	350	62	homogeneous	homogeneous	ADJ
eurjchem-2484	350	63	electron	electron	NOUN
eurjchem-2484	350	64	distribution	distribution	NOUN
eurjchem-2484	350	65	.	.	PUNCT
eurjchem-2484	351	1	for	for	ADP
eurjchem-2484	351	2	regions	region	NOUN
eurjchem-2484	351	3	far	far	ADV
eurjchem-2484	351	4	from	from	ADP
eurjchem-2484	351	5	the	the	DET
eurjchem-2484	351	6	molecule	molecule	NOUN
eurjchem-2484	351	7	,	,	PUNCT
eurjchem-2484	351	8	the	the	DET
eurjchem-2484	351	9	electron	electron	NOUN
eurjchem-2484	351	10	density	density	NOUN
eurjchem-2484	351	11	decays	decay	VERB
eurjchem-2484	351	12	exponentially	exponentially	ADV
eurjchem-2484	351	13	to	to	ADP
eurjchem-2484	351	14	zero	zero	NUM
eurjchem-2484	351	15	;	;	PUNCT
eurjchem-2484	351	16	hence	hence	ADV
eurjchem-2484	351	17	,	,	PUNCT
eurjchem-2484	351	18	the	the	DET
eurjchem-2484	351	19	reduced	reduced	ADJ
eurjchem-2484	351	20	gradient	gradient	NOUN
eurjchem-2484	351	21	will	will	AUX
eurjchem-2484	351	22	have	have	VERB
eurjchem-2484	351	23	very	very	ADV
eurjchem-2484	351	24	large	large	ADJ
eurjchem-2484	351	25	positive	positive	ADJ
eurjchem-2484	351	26	values	value	NOUN
eurjchem-2484	351	27	.	.	PUNCT
eurjchem-2484	352	1	however	however	ADV
eurjchem-2484	352	2	,	,	PUNCT
eurjchem-2484	352	3	in	in	ADP
eurjchem-2484	352	4	the	the	DET
eurjchem-2484	352	5	region	region	NOUN
eurjchem-2484	352	6	of	of	ADP
eurjchem-2484	352	7	covalent	covalent	ADJ
eurjchem-2484	352	8	bonding	bonding	NOUN
eurjchem-2484	352	9	and	and	CCONJ
eurjchem-2484	352	10	noncovalent	noncovalent	NOUN
eurjchem-2484	352	11	interactions	interaction	NOUN
eurjchem-2484	352	12	,	,	PUNCT
eurjchem-2484	352	13	the	the	DET
eurjchem-2484	352	14	reduced	reduce	VERB
eurjchem-2484	352	15	gradient	gradient	NOUN
eurjchem-2484	352	16	has	have	VERB
eurjchem-2484	352	17	very	very	ADV
eurjchem-2484	352	18	small	small	ADJ
eurjchem-2484	352	19	values	value	NOUN
eurjchem-2484	352	20	.	.	PUNCT
eurjchem-2484	353	1	therefore	therefore	ADV
eurjchem-2484	353	2	,	,	PUNCT
eurjchem-2484	353	3	to	to	PART
eurjchem-2484	353	4	study	study	VERB
eurjchem-2484	353	5	the	the	DET
eurjchem-2484	353	6	noncovalent	noncovalent	NOUN
eurjchem-2484	353	7	interactions	interaction	NOUN
eurjchem-2484	353	8	in	in	ADP
eurjchem-2484	353	9	a	a	DET
eurjchem-2484	353	10	molecular	molecular	ADJ
eurjchem-2484	353	11	system	system	NOUN
eurjchem-2484	353	12	,	,	PUNCT
eurjchem-2484	353	13	the	the	DET
eurjchem-2484	353	14	plot	plot	NOUN
eurjchem-2484	353	15	of	of	ADP
eurjchem-2484	353	16	the	the	DET
eurjchem-2484	353	17	reduced	reduce	VERB
eurjchem-2484	353	18	gradients	gradient	NOUN
eurjchem-2484	353	19	,	,	PUNCT
eurjchem-2484	353	20	rdg(r	rdg(r	NOUN
eurjchem-2484	353	21	)	)	PUNCT
eurjchem-2484	353	22	versus	versus	ADP
eurjchem-2484	353	23	ρ(r	ρ(r	PROPN
eurjchem-2484	353	24	)	)	PUNCT
eurjchem-2484	353	25	is	be	AUX
eurjchem-2484	353	26	plotted	plot	VERB
eurjchem-2484	353	27	and	and	CCONJ
eurjchem-2484	353	28	examined	examine	VERB
eurjchem-2484	353	29	in	in	ADP
eurjchem-2484	353	30	the	the	DET
eurjchem-2484	353	31	low	low	ADJ
eurjchem-2484	353	32	reduced	reduce	VERB
eurjchem-2484	353	33	gradient	gradient	ADJ
eurjchem-2484	353	34	regions	region	NOUN
eurjchem-2484	353	35	(	(	PUNCT
eurjchem-2484	353	36	i.e.	i.e.	X
eurjchem-2484	353	37	for	for	ADP
eurjchem-2484	353	38	the	the	DET
eurjchem-2484	353	39	region	region	NOUN
eurjchem-2484	353	40	where	where	SCONJ
eurjchem-2484	353	41	ρ(r	ρ(r	PROPN
eurjchem-2484	353	42	)	)	PUNCT
eurjchem-2484	353	43	is	be	AUX
eurjchem-2484	353	44	small	small	ADJ
eurjchem-2484	353	45	)	)	PUNCT
eurjchem-2484	353	46	.	.	PUNCT
eurjchem-2484	354	1	rdg(r	rdg(r	X
eurjchem-2484	354	2	)	)	PUNCT
eurjchem-2484	354	3	=	=	SYM
eurjchem-2484	354	4	1	1	NUM
eurjchem-2484	354	5	2(3𝜋𝜋2	2(3𝜋𝜋2	NUM
eurjchem-2484	354	6	)	)	PUNCT
eurjchem-2484	354	7	1	1	NUM
eurjchem-2484	354	8	3	3	NUM
eurjchem-2484	354	9	|𝛻𝛻𝛻𝛻(𝑟𝑟)|	|𝛻𝛻𝛻𝛻(𝑟𝑟)|	NUM
eurjchem-2484	354	10	𝛻𝛻(𝑟𝑟	𝛻𝛻(𝑟𝑟	NOUN
eurjchem-2484	354	11	)	)	PUNCT
eurjchem-2484	354	12	4	4	NUM
eurjchem-2484	354	13	3	3	NUM
eurjchem-2484	354	14	(	(	PUNCT
eurjchem-2484	354	15	1	1	NUM
eurjchem-2484	354	16	)	)	PUNCT
eurjchem-2484	354	17	the	the	DET
eurjchem-2484	354	18	second	second	ADV
eurjchem-2484	354	19	largest	large	ADJ
eurjchem-2484	354	20	eigenvalue	eigenvalue	NOUN
eurjchem-2484	354	21	of	of	ADP
eurjchem-2484	354	22	the	the	DET
eurjchem-2484	354	23	hessian	hessian	ADJ
eurjchem-2484	354	24	matrix	matrix	NOUN
eurjchem-2484	354	25	of	of	ADP
eurjchem-2484	354	26	electron	electron	NOUN
eurjchem-2484	354	27	density	density	NOUN
eurjchem-2484	354	28	,	,	PUNCT
eurjchem-2484	354	29	λ2	λ2	PROPN
eurjchem-2484	354	30	and	and	CCONJ
eurjchem-2484	354	31	ρ	ρ	NOUN
eurjchem-2484	354	32	can	can	AUX
eurjchem-2484	354	33	be	be	AUX
eurjchem-2484	354	34	used	use	VERB
eurjchem-2484	354	35	to	to	PART
eurjchem-2484	354	36	distinguish	distinguish	VERB
eurjchem-2484	354	37	these	these	DET
eurjchem-2484	354	38	noncovalent	noncovalent	NOUN
eurjchem-2484	354	39	interactions	interaction	NOUN
eurjchem-2484	354	40	.	.	PUNCT
eurjchem-2484	355	1	for	for	ADP
eurjchem-2484	355	2	which	which	PRON
eurjchem-2484	355	3	a	a	DET
eurjchem-2484	355	4	real	real	ADJ
eurjchem-2484	355	5	space	space	NOUN
eurjchem-2484	355	6	function	function	NOUN
eurjchem-2484	355	7	,	,	PUNCT
eurjchem-2484	355	8	the	the	DET
eurjchem-2484	355	9	sign(λ2)ρ	sign(λ2)ρ	NOUN
eurjchem-2484	355	10	is	be	AUX
eurjchem-2484	355	11	defined	define	VERB
eurjchem-2484	355	12	and	and	CCONJ
eurjchem-2484	355	13	when	when	SCONJ
eurjchem-2484	355	14	this	this	DET
eurjchem-2484	355	15	sign(λ2)ρ	sign(λ2)ρ	NOUN
eurjchem-2484	355	16	(	(	PUNCT
eurjchem-2484	355	17	a.u	a.u	PROPN
eurjchem-2484	355	18	.	.	PUNCT
eurjchem-2484	355	19	)	)	PUNCT
eurjchem-2484	355	20	function	function	NOUN
eurjchem-2484	355	21	is	be	AUX
eurjchem-2484	355	22	plotted	plot	VERB
eurjchem-2484	355	23	against	against	ADP
eurjchem-2484	355	24	rdg(r	rdg(r	PROPN
eurjchem-2484	355	25	)	)	PUNCT
eurjchem-2484	355	26	,	,	PUNCT
eurjchem-2484	355	27	a	a	DET
eurjchem-2484	355	28	few	few	ADJ
eurjchem-2484	355	29	spikes	spike	NOUN
eurjchem-2484	355	30	are	be	AUX
eurjchem-2484	355	31	observed	observe	VERB
eurjchem-2484	355	32	.	.	PUNCT
eurjchem-2484	356	1	on	on	ADP
eurjchem-2484	356	2	the	the	DET
eurjchem-2484	356	3	basis	basis	NOUN
eurjchem-2484	356	4	of	of	ADP
eurjchem-2484	356	5	the	the	DET
eurjchem-2484	356	6	sign(λ2	sign(λ2	NOUN
eurjchem-2484	356	7	)	)	PUNCT
eurjchem-2484	356	8	and	and	CCONJ
eurjchem-2484	356	9	ρ	ρ	NUM
eurjchem-2484	356	10	values	value	NOUN
eurjchem-2484	356	11	,	,	PUNCT
eurjchem-2484	356	12	the	the	DET
eurjchem-2484	356	13	following	follow	VERB
eurjchem-2484	356	14	regions	region	NOUN
eurjchem-2484	356	15	are	be	AUX
eurjchem-2484	356	16	defined	define	VERB
eurjchem-2484	356	17	.	.	PUNCT
eurjchem-2484	357	1	strong	strong	ADJ
eurjchem-2484	357	2	attraction	attraction	NOUN
eurjchem-2484	357	3	(	(	PUNCT
eurjchem-2484	357	4	halogen	halogen	NOUN
eurjchem-2484	357	5	bond	bond	NOUN
eurjchem-2484	357	6	and	and	CCONJ
eurjchem-2484	357	7	hydrogen	hydrogen	NOUN
eurjchem-2484	357	8	bond	bond	NOUN
eurjchem-2484	357	9	)	)	PUNCT
eurjchem-2484	357	10	if	if	SCONJ
eurjchem-2484	357	11	:	:	PUNCT
eurjchem-2484	357	12	(	(	PUNCT
eurjchem-2484	357	13	ρ	ρ	X
eurjchem-2484	357	14	>	>	X
eurjchem-2484	357	15	0	0	PUNCT
eurjchem-2484	357	16	and	and	CCONJ
eurjchem-2484	357	17	λ2	λ2	NOUN
eurjchem-2484	357	18	<	<	X
eurjchem-2484	357	19	0	0	NUM
eurjchem-2484	357	20	)	)	PUNCT
eurjchem-2484	357	21	blue	blue	NOUN
eurjchem-2484	357	22	.	.	PUNCT
eurjchem-2484	358	1	van	van	PROPN
eurjchem-2484	358	2	der	der	NOUN
eurjchem-2484	358	3	waals	waal	NOUN
eurjchem-2484	358	4	interaction	interaction	NOUN
eurjchem-2484	358	5	if	if	SCONJ
eurjchem-2484	358	6	:	:	PUNCT
eurjchem-2484	358	7	(	(	PUNCT
eurjchem-2484	358	8	ρ	ρ	PROPN
eurjchem-2484	358	9	≈	≈	PROPN
eurjchem-2484	358	10	0	0	NUM
eurjchem-2484	358	11	and	and	CCONJ
eurjchem-2484	358	12	λ2	λ2	PROPN
eurjchem-2484	358	13	≈	≈	PROPN
eurjchem-2484	358	14	0	0	NUM
eurjchem-2484	358	15	,	,	PUNCT
eurjchem-2484	358	16	i.e.	i.e.	X
eurjchem-2484	358	17	very	very	ADV
eurjchem-2484	358	18	near	near	ADV
eurjchem-2484	358	19	to	to	ADP
eurjchem-2484	358	20	0	0	NUM
eurjchem-2484	358	21	)	)	PUNCT
eurjchem-2484	358	22	green	green	ADJ
eurjchem-2484	358	23	color	color	NOUN
eurjchem-2484	358	24	(	(	PUNCT
eurjchem-2484	358	25	>	>	X
eurjchem-2484	358	26	-0.02	-0.02	NUM
eurjchem-2484	358	27	to	to	ADP
eurjchem-2484	358	28	<	<	X
eurjchem-2484	358	29	0.005	0.005	NUM
eurjchem-2484	358	30	)	)	PUNCT
eurjchem-2484	358	31	region	region	NOUN
eurjchem-2484	358	32	indicated	indicate	VERB
eurjchem-2484	358	33	in	in	ADP
eurjchem-2484	358	34	figure	figure	NOUN
eurjchem-2484	358	35	16a	16a	NOUN
eurjchem-2484	358	36	.	.	PUNCT
eurjchem-2484	359	1	strong	strong	ADJ
eurjchem-2484	359	2	repulsion	repulsion	NOUN
eurjchem-2484	359	3	(	(	PUNCT
eurjchem-2484	359	4	steric	steric	ADJ
eurjchem-2484	359	5	effect	effect	NOUN
eurjchem-2484	359	6	in	in	ADP
eurjchem-2484	359	7	the	the	DET
eurjchem-2484	359	8	ring	ring	NOUN
eurjchem-2484	359	9	and	and	CCONJ
eurjchem-2484	359	10	cage	cage	NOUN
eurjchem-2484	359	11	)	)	PUNCT
eurjchem-2484	359	12	if	if	SCONJ
eurjchem-2484	359	13	(	(	PUNCT
eurjchem-2484	359	14	ρ	ρ	NOUN
eurjchem-2484	359	15	>	>	X
eurjchem-2484	359	16	0	0	NUM
eurjchem-2484	359	17	and	and	CCONJ
eurjchem-2484	359	18	λ2	λ2	PROPN
eurjchem-2484	359	19	>	>	X
eurjchem-2484	359	20	0	0	NUM
eurjchem-2484	359	21	)	)	PUNCT
eurjchem-2484	359	22	red	red	NOUN
eurjchem-2484	359	23	.	.	PUNCT
eurjchem-2484	360	1	the	the	DET
eurjchem-2484	360	2	sign(λ2)ρ	sign(λ2)ρ	NOUN
eurjchem-2484	360	3	function	function	NOUN
eurjchem-2484	360	4	can	can	AUX
eurjchem-2484	360	5	also	also	ADV
eurjchem-2484	360	6	be	be	AUX
eurjchem-2484	360	7	represented	represent	VERB
eurjchem-2484	360	8	using	use	VERB
eurjchem-2484	360	9	different	different	ADJ
eurjchem-2484	360	10	colors	color	NOUN
eurjchem-2484	360	11	based	base	VERB
eurjchem-2484	360	12	on	on	ADP
eurjchem-2484	360	13	its	its	PRON
eurjchem-2484	360	14	value	value	NOUN
eurjchem-2484	360	15	,	,	PUNCT
eurjchem-2484	360	16	as	as	SCONJ
eurjchem-2484	360	17	mentioned	mention	VERB
eurjchem-2484	360	18	above	above	ADV
eurjchem-2484	360	19	.	.	PUNCT
eurjchem-2484	361	1	the	the	DET
eurjchem-2484	361	2	spikes	spike	NOUN
eurjchem-2484	361	3	obtained	obtain	VERB
eurjchem-2484	361	4	by	by	ADP
eurjchem-2484	361	5	plotting	plot	VERB
eurjchem-2484	361	6	the	the	DET
eurjchem-2484	361	7	sign(λ2)ρ	sign(λ2)ρ	NOUN
eurjchem-2484	361	8	(	(	PUNCT
eurjchem-2484	361	9	a.u	a.u	PROPN
eurjchem-2484	361	10	.	.	PUNCT
eurjchem-2484	361	11	)	)	PUNCT
eurjchem-2484	361	12	function	function	NOUN
eurjchem-2484	361	13	against	against	ADP
eurjchem-2484	361	14	rdg(r	rdg(r	PROPN
eurjchem-2484	361	15	)	)	PUNCT
eurjchem-2484	361	16	are	be	AUX
eurjchem-2484	361	17	classified	classify	VERB
eurjchem-2484	361	18	into	into	ADP
eurjchem-2484	361	19	three	three	NUM
eurjchem-2484	361	20	types	type	NOUN
eurjchem-2484	361	21	,	,	PUNCT
eurjchem-2484	361	22	the	the	DET
eurjchem-2484	361	23	blue	blue	ADJ
eurjchem-2484	361	24	spike	spike	ADJ
eurjchem-2484	361	25	region	region	NOUN
eurjchem-2484	361	26	,	,	PUNCT
eurjchem-2484	361	27	the	the	DET
eurjchem-2484	361	28	green	green	ADJ
eurjchem-2484	361	29	spike	spike	PROPN
eurjchem-2484	361	30	region	region	NOUN
eurjchem-2484	361	31	,	,	PUNCT
eurjchem-2484	361	32	and	and	CCONJ
eurjchem-2484	361	33	the	the	DET
eurjchem-2484	361	34	red	red	ADJ
eurjchem-2484	361	35	spike	spike	PROPN
eurjchem-2484	361	36	region	region	NOUN
eurjchem-2484	361	37	.	.	PUNCT
eurjchem-2484	362	1	by	by	ADP
eurjchem-2484	362	2	mapping	map	VERB
eurjchem-2484	362	3	the	the	DET
eurjchem-2484	362	4	cross	cross	ADJ
eurjchem-2484	362	5	-	-	ADJ
eurjchem-2484	362	6	section	section	ADJ
eurjchem-2484	362	7	area	area	NOUN
eurjchem-2484	362	8	of	of	ADP
eurjchem-2484	362	9	the	the	DET
eurjchem-2484	362	10	spikes	spike	NOUN
eurjchem-2484	362	11	at	at	ADP
eurjchem-2484	362	12	a	a	DET
eurjchem-2484	362	13	particular	particular	ADJ
eurjchem-2484	362	14	value	value	NOUN
eurjchem-2484	362	15	of	of	ADP
eurjchem-2484	362	16	rdg(r	rdg(r	PROPN
eurjchem-2484	362	17	)	)	PUNCT
eurjchem-2484	362	18	,	,	PUNCT
eurjchem-2484	362	19	the	the	DET
eurjchem-2484	362	20	rdg	rdg	NOUN
eurjchem-2484	362	21	isosurface	isosurface	NOUN
eurjchem-2484	362	22	can	can	AUX
eurjchem-2484	362	23	be	be	AUX
eurjchem-2484	362	24	constructed	construct	VERB
eurjchem-2484	362	25	.	.	PUNCT
eurjchem-2484	363	1	from	from	ADP
eurjchem-2484	363	2	this	this	DET
eurjchem-2484	363	3	pictorial	pictorial	ADJ
eurjchem-2484	363	4	representation	representation	NOUN
eurjchem-2484	363	5	of	of	ADP
eurjchem-2484	363	6	rdg	rdg	NOUN
eurjchem-2484	363	7	isosurfaces	isosurface	NOUN
eurjchem-2484	363	8	,	,	PUNCT
eurjchem-2484	363	9	both	both	CCONJ
eurjchem-2484	363	10	the	the	DET
eurjchem-2484	363	11	location	location	NOUN
eurjchem-2484	363	12	of	of	ADP
eurjchem-2484	363	13	the	the	DET
eurjchem-2484	363	14	weak	weak	ADJ
eurjchem-2484	363	15	interaction	interaction	NOUN
eurjchem-2484	363	16	and	and	CCONJ
eurjchem-2484	363	17	the	the	DET
eurjchem-2484	363	18	type	type	NOUN
eurjchem-2484	363	19	of	of	ADP
eurjchem-2484	363	20	interactions	interaction	NOUN
eurjchem-2484	363	21	present	present	ADJ
eurjchem-2484	363	22	in	in	ADP
eurjchem-2484	363	23	the	the	DET
eurjchem-2484	363	24	molecule	molecule	NOUN
eurjchem-2484	363	25	can	can	AUX
eurjchem-2484	363	26	be	be	AUX
eurjchem-2484	363	27	easily	easily	ADV
eurjchem-2484	363	28	identified	identify	VERB
eurjchem-2484	363	29	.	.	PUNCT
eurjchem-2484	364	1	the	the	DET
eurjchem-2484	364	2	noncovalent	noncovalent	NOUN
eurjchem-2484	364	3	interactions	interaction	NOUN
eurjchem-2484	364	4	present	present	ADJ
eurjchem-2484	364	5	in	in	ADP
eurjchem-2484	364	6	4	4	NUM
eurjchem-2484	364	7	-	-	PUNCT
eurjchem-2484	364	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	364	9	complex	complex	NOUN
eurjchem-2484	364	10	were	be	AUX
eurjchem-2484	364	11	investigated	investigate	VERB
eurjchem-2484	364	12	using	use	VERB
eurjchem-2484	364	13	the	the	DET
eurjchem-2484	364	14	multiwfn	multiwfn	NOUN
eurjchem-2484	364	15	3.7	3.7	NUM
eurjchem-2484	365	1	[	[	X
eurjchem-2484	365	2	24	24	NUM
eurjchem-2484	365	3	]	]	PUNCT
eurjchem-2484	365	4	and	and	CCONJ
eurjchem-2484	365	5	the	the	DET
eurjchem-2484	365	6	graph	graph	NOUN
eurjchem-2484	365	7	obtained	obtain	VERB
eurjchem-2484	365	8	is	be	AUX
eurjchem-2484	365	9	shown	show	VERB
eurjchem-2484	365	10	in	in	ADP
eurjchem-2484	365	11	figure	figure	NOUN
eurjchem-2484	365	12	16a	16a	NOUN
eurjchem-2484	365	13	.	.	PUNCT
eurjchem-2484	366	1	from	from	ADP
eurjchem-2484	366	2	figure	figure	NOUN
eurjchem-2484	366	3	16a	16a	NOUN
eurjchem-2484	366	4	,	,	PUNCT
eurjchem-2484	366	5	it	it	PRON
eurjchem-2484	366	6	is	be	AUX
eurjchem-2484	366	7	evident	evident	ADJ
eurjchem-2484	366	8	that	that	SCONJ
eurjchem-2484	366	9	4	4	NUM
eurjchem-2484	366	10	-	-	PUNCT
eurjchem-2484	366	11	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	366	12	has	have	VERB
eurjchem-2484	366	13	steric	steric	ADJ
eurjchem-2484	366	14	,	,	PUNCT
eurjchem-2484	366	15	van	van	PROPN
eurjchem-2484	366	16	der	der	NOUN
eurjchem-2484	366	17	waals	waal	NOUN
eurjchem-2484	366	18	and	and	CCONJ
eurjchem-2484	366	19	hydrogen	hydrogen	NOUN
eurjchem-2484	366	20	bond	bond	NOUN
eurjchem-2484	366	21	interactions	interaction	NOUN
eurjchem-2484	366	22	.	.	PUNCT
eurjchem-2484	367	1	there	there	PRON
eurjchem-2484	367	2	are	be	VERB
eurjchem-2484	367	3	spikes	spike	NOUN
eurjchem-2484	367	4	seen	see	VERB
eurjchem-2484	367	5	at	at	ADP
eurjchem-2484	367	6	very	very	ADV
eurjchem-2484	367	7	negative	negative	ADJ
eurjchem-2484	367	8	region	region	NOUN
eurjchem-2484	367	9	of	of	ADP
eurjchem-2484	367	10	sign(λ2)ρ	sign(λ2)ρ	NOUN
eurjchem-2484	367	11	,	,	PUNCT
eurjchem-2484	367	12	indicating	indicate	VERB
eurjchem-2484	367	13	that	that	SCONJ
eurjchem-2484	367	14	the	the	DET
eurjchem-2484	367	15	4	4	NUM
eurjchem-2484	367	16	-	-	PUNCT
eurjchem-2484	367	17	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	367	18	compound	compound	NOUN
eurjchem-2484	367	19	contains	contain	VERB
eurjchem-2484	367	20	an	an	DET
eurjchem-2484	367	21	attractive	attractive	ADJ
eurjchem-2484	367	22	intermolecular	intermolecular	ADJ
eurjchem-2484	367	23	interaction	interaction	NOUN
eurjchem-2484	367	24	.	.	PUNCT
eurjchem-2484	368	1	there	there	PRON
eurjchem-2484	368	2	are	be	VERB
eurjchem-2484	368	3	also	also	ADV
eurjchem-2484	368	4	spikes	spike	NOUN
eurjchem-2484	368	5	in	in	ADP
eurjchem-2484	368	6	the	the	DET
eurjchem-2484	368	7	positive	positive	ADJ
eurjchem-2484	368	8	region	region	NOUN
eurjchem-2484	368	9	indicating	indicate	VERB
eurjchem-2484	368	10	the	the	DET
eurjchem-2484	368	11	presence	presence	NOUN
eurjchem-2484	368	12	of	of	ADP
eurjchem-2484	368	13	a	a	DET
eurjchem-2484	368	14	steric	steric	ADJ
eurjchem-2484	368	15	effect	effect	NOUN
eurjchem-2484	368	16	in	in	ADP
eurjchem-2484	368	17	4	4	NUM
eurjchem-2484	368	18	-	-	PUNCT
eurjchem-2484	368	19	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	368	20	.	.	PUNCT
eurjchem-2484	369	1	in	in	ADP
eurjchem-2484	369	2	figure	figure	NOUN
eurjchem-2484	369	3	16a	16a	NOUN
eurjchem-2484	369	4	,	,	PUNCT
eurjchem-2484	369	5	six	six	NUM
eurjchem-2484	369	6	spikes	spike	NOUN
eurjchem-2484	369	7	are	be	AUX
eurjchem-2484	369	8	seen	see	VERB
eurjchem-2484	369	9	,	,	PUNCT
eurjchem-2484	369	10	with	with	ADP
eurjchem-2484	369	11	their	their	PRON
eurjchem-2484	369	12	peak	peak	NOUN
eurjchem-2484	369	13	at	at	ADP
eurjchem-2484	369	14	position	position	NOUN
eurjchem-2484	369	15	as	as	ADP
eurjchem-2484	369	16	per	per	ADP
eurjchem-2484	369	17	cp	cp	NUM
eurjchem-2484	369	18	positions	position	NOUN
eurjchem-2484	369	19	in	in	ADP
eurjchem-2484	369	20	aim	aim	NOUN
eurjchem-2484	369	21	theory	theory	NOUN
eurjchem-2484	369	22	.	.	PUNCT
eurjchem-2484	370	1	the	the	DET
eurjchem-2484	370	2	spikes	spike	NOUN
eurjchem-2484	370	3	around	around	ADP
eurjchem-2484	370	4	0.020	0.020	NUM
eurjchem-2484	370	5	and	and	CCONJ
eurjchem-2484	370	6	0.010	0.010	NUM
eurjchem-2484	370	7	a.u	a.u	PROPN
eurjchem-2484	370	8	.	.	PROPN
eurjchem-2484	370	9	represent	represent	VERB
eurjchem-2484	370	10	the	the	DET
eurjchem-2484	370	11	steric	steric	ADJ
eurjchem-2484	370	12	hindrance	hindrance	NOUN
eurjchem-2484	370	13	.	.	PUNCT
eurjchem-2484	371	1	the	the	DET
eurjchem-2484	371	2	spikes	spike	NOUN
eurjchem-2484	371	3	around	around	ADP
eurjchem-2484	371	4	-0.010	-0.010	X
eurjchem-2484	371	5	a.u	a.u	X
eurjchem-2484	371	6	.	.	PROPN
eurjchem-2484	371	7	represent	represent	VERB
eurjchem-2484	371	8	the	the	DET
eurjchem-2484	371	9	van	van	PROPN
eurjchem-2484	371	10	der	der	NOUN
eurjchem-2484	371	11	waals	waal	NOUN
eurjchem-2484	371	12	force	force	NOUN
eurjchem-2484	371	13	of	of	ADP
eurjchem-2484	371	14	attraction	attraction	NOUN
eurjchem-2484	371	15	.	.	PUNCT
eurjchem-2484	372	1	the	the	DET
eurjchem-2484	372	2	spikes	spike	NOUN
eurjchem-2484	372	3	seen	see	VERB
eurjchem-2484	372	4	around	around	ADP
eurjchem-2484	372	5	0.035	0.035	NUM
eurjchem-2484	372	6	and	and	CCONJ
eurjchem-2484	372	7	-0.05	-0.05	NUM
eurjchem-2484	372	8	a.u	a.u	PROPN
eurjchem-2484	372	9	.	.	PROPN
eurjchem-2484	372	10	are	be	AUX
eurjchem-2484	372	11	pertaining	pertain	VERB
eurjchem-2484	372	12	to	to	ADP
eurjchem-2484	372	13	hydrogen	hydrogen	NOUN
eurjchem-2484	372	14	bond	bond	NOUN
eurjchem-2484	372	15	formation	formation	NOUN
eurjchem-2484	372	16	.	.	PUNCT
eurjchem-2484	373	1	the	the	DET
eurjchem-2484	373	2	spike	spike	NOUN
eurjchem-2484	373	3	seen	see	VERB
eurjchem-2484	373	4	around	around	ADP
eurjchem-2484	373	5	-0.025	-0.025	PROPN
eurjchem-2484	373	6	a.u	a.u	PROPN
eurjchem-2484	373	7	.	.	PROPN
eurjchem-2484	373	8	could	could	AUX
eurjchem-2484	373	9	be	be	AUX
eurjchem-2484	373	10	due	due	ADJ
eurjchem-2484	373	11	to	to	ADP
eurjchem-2484	373	12	strong	strong	ADJ
eurjchem-2484	373	13	van	van	PROPN
eurjchem-2484	373	14	der	der	NOUN
eurjchem-2484	373	15	waals	waal	NOUN
eurjchem-2484	373	16	force	force	NOUN
eurjchem-2484	373	17	of	of	ADP
eurjchem-2484	373	18	attraction	attraction	NOUN
eurjchem-2484	373	19	,	,	PUNCT
eurjchem-2484	373	20	weak	weak	ADJ
eurjchem-2484	373	21	hydrogen	hydrogen	NOUN
eurjchem-2484	373	22	bond	bond	NOUN
eurjchem-2484	373	23	or	or	CCONJ
eurjchem-2484	373	24	both	both	PRON
eurjchem-2484	373	25	.	.	PUNCT
eurjchem-2484	374	1	these	these	DET
eurjchem-2484	374	2	different	different	ADJ
eurjchem-2484	374	3	interactions	interaction	NOUN
eurjchem-2484	374	4	seen	see	VERB
eurjchem-2484	374	5	in	in	ADP
eurjchem-2484	374	6	4	4	NUM
eurjchem-2484	374	7	-	-	PUNCT
eurjchem-2484	374	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	374	9	can	can	AUX
eurjchem-2484	374	10	be	be	AUX
eurjchem-2484	374	11	represented	represent	VERB
eurjchem-2484	374	12	pictorially	pictorially	ADV
eurjchem-2484	374	13	by	by	ADP
eurjchem-2484	374	14	generating	generate	VERB
eurjchem-2484	374	15	rdg	rdg	NOUN
eurjchem-2484	374	16	isosurfaces	isosurface	NOUN
eurjchem-2484	374	17	using	use	VERB
eurjchem-2484	374	18	two	two	NUM
eurjchem-2484	374	19	cube	cube	NOUN
eurjchem-2484	374	20	files	file	NOUN
eurjchem-2484	374	21	generated	generate	VERB
eurjchem-2484	374	22	by	by	ADP
eurjchem-2484	374	23	multiwfn	multiwfn	PROPN
eurjchem-2484	374	24	3.7	3.7	NUM
eurjchem-2484	374	25	and	and	CCONJ
eurjchem-2484	374	26	viewed	view	VERB
eurjchem-2484	374	27	in	in	ADP
eurjchem-2484	374	28	the	the	DET
eurjchem-2484	374	29	vmd	vmd	PROPN
eurjchem-2484	374	30	1.9.3	1.9.3	PROPN
eurjchem-2484	374	31	tool	tool	PROPN
eurjchem-2484	375	1	[	[	X
eurjchem-2484	375	2	24,42	24,42	NOUN
eurjchem-2484	375	3	]	]	X
eurjchem-2484	375	4	.	.	PUNCT
eurjchem-2484	376	1	the	the	DET
eurjchem-2484	376	2	structure	structure	NOUN
eurjchem-2484	376	3	of	of	ADP
eurjchem-2484	376	4	4	4	NUM
eurjchem-2484	376	5	-	-	PUNCT
eurjchem-2484	376	6	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	376	7	complex	complex	ADJ
eurjchem-2484	376	8	showing	show	VERB
eurjchem-2484	376	9	different	different	ADJ
eurjchem-2484	376	10	isosurfaces	isosurface	NOUN
eurjchem-2484	376	11	of	of	ADP
eurjchem-2484	376	12	rdg	rdg	NOUN
eurjchem-2484	376	13	is	be	AUX
eurjchem-2484	376	14	shown	show	VERB
eurjchem-2484	376	15	in	in	ADP
eurjchem-2484	376	16	figure	figure	NOUN
eurjchem-2484	376	17	16b	16b	PROPN
eurjchem-2484	376	18	.	.	PUNCT
eurjchem-2484	377	1	the	the	DET
eurjchem-2484	377	2	red	red	ADJ
eurjchem-2484	377	3	isosurfaces	isosurface	NOUN
eurjchem-2484	377	4	seen	see	VERB
eurjchem-2484	377	5	in	in	ADP
eurjchem-2484	377	6	the	the	DET
eurjchem-2484	377	7	middle	middle	NOUN
eurjchem-2484	377	8	of	of	ADP
eurjchem-2484	377	9	the	the	DET
eurjchem-2484	377	10	aromatic	aromatic	ADJ
eurjchem-2484	377	11	rings	ring	NOUN
eurjchem-2484	377	12	represent	represent	VERB
eurjchem-2484	377	13	the	the	DET
eurjchem-2484	377	14	presence	presence	NOUN
eurjchem-2484	377	15	of	of	ADP
eurjchem-2484	377	16	steric	steric	ADJ
eurjchem-2484	377	17	hindrance	hindrance	NOUN
eurjchem-2484	377	18	within	within	ADP
eurjchem-2484	377	19	the	the	DET
eurjchem-2484	377	20	aromatic	aromatic	ADJ
eurjchem-2484	377	21	ring	ring	NOUN
eurjchem-2484	377	22	.	.	PUNCT
eurjchem-2484	378	1	the	the	DET
eurjchem-2484	378	2	red	red	ADJ
eurjchem-2484	378	3	and	and	CCONJ
eurjchem-2484	378	4	green	green	ADJ
eurjchem-2484	378	5	isosurfaces	isosurface	NOUN
eurjchem-2484	378	6	seen	see	VERB
eurjchem-2484	378	7	near	near	ADP
eurjchem-2484	378	8	the	the	DET
eurjchem-2484	378	9	-cooh	-cooh	ADJ
eurjchem-2484	378	10	region	region	NOUN
eurjchem-2484	378	11	indicate	indicate	VERB
eurjchem-2484	378	12	the	the	DET
eurjchem-2484	378	13	presence	presence	NOUN
eurjchem-2484	378	14	of	of	ADP
eurjchem-2484	378	15	both	both	CCONJ
eurjchem-2484	378	16	steric	steric	ADJ
eurjchem-2484	378	17	hindrance	hindrance	NOUN
eurjchem-2484	378	18	and	and	CCONJ
eurjchem-2484	378	19	van	van	PROPN
eurjchem-2484	378	20	der	der	NOUN
eurjchem-2484	378	21	waals	waal	NOUN
eurjchem-2484	378	22	attraction	attraction	NOUN
eurjchem-2484	378	23	in	in	ADP
eurjchem-2484	378	24	this	this	DET
eurjchem-2484	378	25	region	region	NOUN
eurjchem-2484	378	26	.	.	PUNCT
eurjchem-2484	379	1	in	in	ADP
eurjchem-2484	379	2	the	the	DET
eurjchem-2484	379	3	cation	cation	NOUN
eurjchem-2484	379	4	:	:	PUNCT
eurjchem-2484	379	5	anion	anion	NOUN
eurjchem-2484	379	6	:	:	PUNCT
eurjchem-2484	379	7	water	water	NOUN
eurjchem-2484	379	8	interface	interface	NOUN
eurjchem-2484	379	9	region	region	NOUN
eurjchem-2484	379	10	,	,	PUNCT
eurjchem-2484	379	11	red	red	ADJ
eurjchem-2484	379	12	,	,	PUNCT
eurjchem-2484	379	13	green	green	ADJ
eurjchem-2484	379	14	,	,	PUNCT
eurjchem-2484	379	15	and	and	CCONJ
eurjchem-2484	379	16	blue	blue	ADJ
eurjchem-2484	379	17	-	-	PUNCT
eurjchem-2484	379	18	colored	color	VERB
eurjchem-2484	379	19	isosurfaces	isosurface	NOUN
eurjchem-2484	379	20	are	be	AUX
eurjchem-2484	379	21	seen	see	VERB
eurjchem-2484	379	22	,	,	PUNCT
eurjchem-2484	379	23	indicating	indicate	VERB
eurjchem-2484	379	24	the	the	DET
eurjchem-2484	379	25	presence	presence	NOUN
eurjchem-2484	379	26	of	of	ADP
eurjchem-2484	379	27	steric	steric	ADJ
eurjchem-2484	379	28	hindrance	hindrance	NOUN
eurjchem-2484	379	29	,	,	PUNCT
eurjchem-2484	379	30	van	van	PROPN
eurjchem-2484	379	31	der	der	NOUN
eurjchem-2484	379	32	waals	waal	NOUN
eurjchem-2484	379	33	attraction	attraction	NOUN
eurjchem-2484	379	34	,	,	PUNCT
eurjchem-2484	379	35	and	and	CCONJ
eurjchem-2484	379	36	hydrogen	hydrogen	NOUN
eurjchem-2484	379	37	bond	bond	NOUN
eurjchem-2484	379	38	interaction	interaction	NOUN
eurjchem-2484	379	39	.	.	PUNCT
eurjchem-2484	380	1	the	the	DET
eurjchem-2484	380	2	hydrogen	hydrogen	NOUN
eurjchem-2484	380	3	bonds	bond	NOUN
eurjchem-2484	380	4	n	n	CCONJ
eurjchem-2484	380	5	-	-	PUNCT
eurjchem-2484	380	6	h⋅⋅⋅o	h⋅⋅⋅o	NOUN
eurjchem-2484	380	7	(	(	PUNCT
eurjchem-2484	380	8	between	between	ADP
eurjchem-2484	380	9	nh3	nh3	NOUN
eurjchem-2484	380	10	+	+	NOUN
eurjchem-2484	380	11	and	and	CCONJ
eurjchem-2484	380	12	water	water	NOUN
eurjchem-2484	380	13	)	)	PUNCT
eurjchem-2484	380	14	,	,	PUNCT
eurjchem-2484	380	15	and	and	CCONJ
eurjchem-2484	380	16	o⋅⋅⋅h	o⋅⋅⋅h	ADJ
eurjchem-2484	380	17	-	-	PUNCT
eurjchem-2484	380	18	o	o	NOUN
eurjchem-2484	380	19	(	(	PUNCT
eurjchem-2484	380	20	between	between	ADP
eurjchem-2484	380	21	h2po4	h2po4	NOUN
eurjchem-2484	380	22	–	–	PUNCT
eurjchem-2484	380	23	and	and	CCONJ
eurjchem-2484	380	24	water	water	NOUN
eurjchem-2484	380	25	)	)	PUNCT
eurjchem-2484	380	26	are	be	AUX
eurjchem-2484	380	27	strong	strong	ADJ
eurjchem-2484	380	28	,	,	PUNCT
eurjchem-2484	380	29	as	as	SCONJ
eurjchem-2484	380	30	indicated	indicate	VERB
eurjchem-2484	380	31	by	by	ADP
eurjchem-2484	380	32	the	the	DET
eurjchem-2484	380	33	presence	presence	NOUN
eurjchem-2484	380	34	of	of	ADP
eurjchem-2484	380	35	blue	blue	ADJ
eurjchem-2484	380	36	isosurfaces	isosurface	NOUN
eurjchem-2484	380	37	of	of	ADP
eurjchem-2484	380	38	rdg	rdg	NOUN
eurjchem-2484	380	39	.	.	PUNCT
eurjchem-2484	381	1	while	while	SCONJ
eurjchem-2484	381	2	the	the	DET
eurjchem-2484	381	3	n	n	CCONJ
eurjchem-2484	381	4	-	-	PUNCT
eurjchem-2484	381	5	h⋅⋅⋅o	h⋅⋅⋅o	NOUN
eurjchem-2484	381	6	(	(	PUNCT
eurjchem-2484	381	7	between	between	ADP
eurjchem-2484	381	8	nh3	nh3	NOUN
eurjchem-2484	381	9	+	+	NOUN
eurjchem-2484	381	10	and	and	CCONJ
eurjchem-2484	381	11	h2po4	h2po4	ADJ
eurjchem-2484	381	12	–	–	PUNCT
eurjchem-2484	381	13	)	)	PUNCT
eurjchem-2484	381	14	hydrogen	hydrogen	NOUN
eurjchem-2484	381	15	bond	bond	NOUN
eurjchem-2484	381	16	interaction	interaction	NOUN
eurjchem-2484	381	17	is	be	AUX
eurjchem-2484	381	18	relatively	relatively	ADV
eurjchem-2484	381	19	weak	weak	ADJ
eurjchem-2484	381	20	.	.	PUNCT
eurjchem-2484	382	1	3.7.2	3.7.2	NUM
eurjchem-2484	382	2	quantum	quantum	NOUN
eurjchem-2484	382	3	theory	theory	NOUN
eurjchem-2484	382	4	of	of	ADP
eurjchem-2484	382	5	atom	atom	NOUN
eurjchem-2484	382	6	in	in	ADP
eurjchem-2484	382	7	molecule	molecule	NOUN
eurjchem-2484	382	8	(	(	PUNCT
eurjchem-2484	382	9	qtaim	qtaim	NOUN
eurjchem-2484	382	10	)	)	PUNCT
eurjchem-2484	382	11	analysis	analysis	NOUN
eurjchem-2484	382	12	bader	bader	NOUN
eurjchem-2484	382	13	’s	’s	PART
eurjchem-2484	382	14	topology	topology	NOUN
eurjchem-2484	382	15	analysis	analysis	NOUN
eurjchem-2484	382	16	technique	technique	NOUN
eurjchem-2484	382	17	is	be	AUX
eurjchem-2484	382	18	used	use	VERB
eurjchem-2484	382	19	to	to	PART
eurjchem-2484	382	20	find	find	VERB
eurjchem-2484	382	21	the	the	DET
eurjchem-2484	382	22	electron	electron	NOUN
eurjchem-2484	382	23	density	density	NOUN
eurjchem-2484	382	24	in	in	ADP
eurjchem-2484	382	25	'	'	PUNCT
eurjchem-2484	382	26	atoms	atom	NOUN
eurjchem-2484	382	27	in	in	ADP
eurjchem-2484	382	28	molecules	molecule	NOUN
eurjchem-2484	382	29	'	'	PART
eurjchem-2484	382	30	(	(	PUNCT
eurjchem-2484	382	31	aim	aim	NOUN
eurjchem-2484	382	32	)	)	PUNCT
eurjchem-2484	382	33	theory	theory	NOUN
eurjchem-2484	382	34	,	,	PUNCT
eurjchem-2484	382	35	which	which	PRON
eurjchem-2484	382	36	is	be	AUX
eurjchem-2484	382	37	also	also	ADV
eurjchem-2484	382	38	known	know	VERB
eurjchem-2484	382	39	as	as	ADP
eurjchem-2484	382	40	'	'	PUNCT
eurjchem-2484	382	41	the	the	DET
eurjchem-2484	382	42	quantum	quantum	ADJ
eurjchem-2484	382	43	theory	theory	NOUN
eurjchem-2484	382	44	of	of	ADP
eurjchem-2484	382	45	atoms	atom	NOUN
eurjchem-2484	382	46	in	in	ADP
eurjchem-2484	382	47	molecules	molecule	NOUN
eurjchem-2484	382	48	'	'	PART
eurjchem-2484	382	49	(	(	PUNCT
eurjchem-2484	382	50	qtaim	qtaim	NOUN
eurjchem-2484	382	51	)	)	PUNCT
eurjchem-2484	383	1	[	[	X
eurjchem-2484	383	2	43	43	NUM
eurjchem-2484	383	3	]	]	PUNCT
eurjchem-2484	383	4	.	.	PUNCT
eurjchem-2484	384	1	in	in	ADP
eurjchem-2484	384	2	topology	topology	NOUN
eurjchem-2484	384	3	analysis	analysis	NOUN
eurjchem-2484	384	4	,	,	PUNCT
eurjchem-2484	384	5	the	the	DET
eurjchem-2484	384	6	points	point	NOUN
eurjchem-2484	384	7	where	where	SCONJ
eurjchem-2484	384	8	the	the	DET
eurjchem-2484	384	9	gradient	gradient	ADJ
eurjchem-2484	384	10	norm	norm	NOUN
eurjchem-2484	384	11	of	of	ADP
eurjchem-2484	384	12	the	the	DET
eurjchem-2484	384	13	function	function	NOUN
eurjchem-2484	384	14	value	value	NOUN
eurjchem-2484	384	15	is	be	AUX
eurjchem-2484	384	16	zero	zero	NUM
eurjchem-2484	384	17	(	(	PUNCT
eurjchem-2484	384	18	except	except	SCONJ
eurjchem-2484	384	19	at	at	ADP
eurjchem-2484	384	20	infinity	infinity	NOUN
eurjchem-2484	384	21	)	)	PUNCT
eurjchem-2484	384	22	are	be	AUX
eurjchem-2484	384	23	called	call	VERB
eurjchem-2484	384	24	as	as	ADP
eurjchem-2484	384	25	critical	critical	ADJ
eurjchem-2484	384	26	points	point	NOUN
eurjchem-2484	384	27	(	(	PUNCT
eurjchem-2484	384	28	cps	cps	PROPN
eurjchem-2484	384	29	)	)	PUNCT
eurjchem-2484	384	30	.	.	PUNCT
eurjchem-2484	385	1	the	the	DET
eurjchem-2484	385	2	cps	cps	PROPN
eurjchem-2484	385	3	are	be	AUX
eurjchem-2484	385	4	classified	classify	VERB
eurjchem-2484	385	5	into	into	ADP
eurjchem-2484	385	6	four	four	NUM
eurjchem-2484	385	7	types	type	NOUN
eurjchem-2484	385	8	,	,	PUNCT
eurjchem-2484	385	9	nuclear	nuclear	ADJ
eurjchem-2484	385	10	critical	critical	ADJ
eurjchem-2484	385	11	point	point	NOUN
eurjchem-2484	385	12	(	(	PUNCT
eurjchem-2484	385	13	ncp	ncp	NOUN
eurjchem-2484	385	14	)	)	PUNCT
eurjchem-2484	385	15	(	(	PUNCT
eurjchem-2484	385	16	3	3	NUM
eurjchem-2484	385	17	,	,	PUNCT
eurjchem-2484	385	18	-3	-3	PUNCT
eurjchem-2484	385	19	)	)	PUNCT
eurjchem-2484	385	20	,	,	PUNCT
eurjchem-2484	385	21	bond	bond	NOUN
eurjchem-2484	385	22	critical	critical	ADJ
eurjchem-2484	385	23	point	point	NOUN
eurjchem-2484	385	24	(	(	PUNCT
eurjchem-2484	385	25	bcp	bcp	PROPN
eurjchem-2484	385	26	)	)	PUNCT
eurjchem-2484	385	27	(	(	PUNCT
eurjchem-2484	385	28	3	3	NUM
eurjchem-2484	385	29	,	,	PUNCT
eurjchem-2484	385	30	-1	-1	ADJ
eurjchem-2484	385	31	)	)	PUNCT
eurjchem-2484	385	32	,	,	PUNCT
eurjchem-2484	385	33	ring	re	VERB
eurjchem-2484	385	34	critical	critical	ADJ
eurjchem-2484	385	35	point	point	NOUN
eurjchem-2484	385	36	(	(	PUNCT
eurjchem-2484	385	37	rcp	rcp	NOUN
eurjchem-2484	385	38	)	)	PUNCT
eurjchem-2484	385	39	(	(	PUNCT
eurjchem-2484	385	40	3	3	NUM
eurjchem-2484	385	41	,	,	PUNCT
eurjchem-2484	385	42	+1	+1	PROPN
eurjchem-2484	385	43	)	)	PUNCT
eurjchem-2484	385	44	and	and	CCONJ
eurjchem-2484	385	45	cage	cage	NOUN
eurjchem-2484	385	46	critical	critical	ADJ
eurjchem-2484	385	47	point	point	NOUN
eurjchem-2484	385	48	(	(	PUNCT
eurjchem-2484	385	49	ccp	ccp	PROPN
eurjchem-2484	385	50	)	)	PUNCT
eurjchem-2484	385	51	(	(	PUNCT
eurjchem-2484	385	52	3	3	NUM
eurjchem-2484	385	53	,	,	PUNCT
eurjchem-2484	385	54	+3	+3	PROPN
eurjchem-2484	385	55	)	)	PUNCT
eurjchem-2484	385	56	according	accord	VERB
eurjchem-2484	385	57	to	to	ADP
eurjchem-2484	385	58	how	how	SCONJ
eurjchem-2484	385	59	many	many	ADJ
eurjchem-2484	385	60	eigenvalues	eigenvalue	NOUN
eurjchem-2484	385	61	of	of	ADP
eurjchem-2484	385	62	the	the	DET
eurjchem-2484	385	63	hessian	hessian	ADJ
eurjchem-2484	385	64	matrix	matrix	NOUN
eurjchem-2484	385	65	of	of	ADP
eurjchem-2484	385	66	real	real	ADJ
eurjchem-2484	385	67	space	space	NOUN
eurjchem-2484	385	68	function	function	NOUN
eurjchem-2484	385	69	are	be	AUX
eurjchem-2484	385	70	negative	negative	ADJ
eurjchem-2484	385	71	.	.	PUNCT
eurjchem-2484	386	1	qtaim	qtaim	NOUN
eurjchem-2484	386	2	has	have	VERB
eurjchem-2484	386	3	both	both	CCONJ
eurjchem-2484	386	4	geometrical	geometrical	ADJ
eurjchem-2484	386	5	and	and	CCONJ
eurjchem-2484	386	6	topological	topological	ADJ
eurjchem-2484	386	7	features	feature	NOUN
eurjchem-2484	386	8	of	of	ADP
eurjchem-2484	386	9	electron	electron	NOUN
eurjchem-2484	386	10	density	density	NOUN
eurjchem-2484	386	11	and	and	CCONJ
eurjchem-2484	386	12	its	its	PRON
eurjchem-2484	386	13	derivatives	derivative	NOUN
eurjchem-2484	386	14	.	.	PUNCT
eurjchem-2484	387	1	the	the	DET
eurjchem-2484	387	2	bond	bond	NOUN
eurjchem-2484	387	3	critical	critical	ADJ
eurjchem-2484	387	4	points	point	NOUN
eurjchem-2484	387	5	(	(	PUNCT
eurjchem-2484	387	6	bcps	bcps	PROPN
eurjchem-2484	387	7	)	)	PUNCT
eurjchem-2484	387	8	of	of	ADP
eurjchem-2484	387	9	curvature	curvature	NOUN
eurjchem-2484	387	10	(	(	PUNCT
eurjchem-2484	387	11	3	3	NUM
eurjchem-2484	387	12	,	,	PUNCT
eurjchem-2484	387	13	-1	-1	PUNCT
eurjchem-2484	387	14	)	)	PUNCT
eurjchem-2484	387	15	mark	mark	VERB
eurjchem-2484	387	16	the	the	DET
eurjchem-2484	387	17	topological	topological	ADJ
eurjchem-2484	387	18	saddle	saddle	NOUN
eurjchem-2484	387	19	points	point	NOUN
eurjchem-2484	387	20	along	along	ADP
eurjchem-2484	387	21	'	'	PUNCT
eurjchem-2484	387	22	bond	bond	NOUN
eurjchem-2484	387	23	lines	line	NOUN
eurjchem-2484	387	24	'	'	PART
eurjchem-2484	387	25	of	of	ADP
eurjchem-2484	387	26	maximum	maximum	ADJ
eurjchem-2484	387	27	density	density	NOUN
eurjchem-2484	387	28	between	between	ADP
eurjchem-2484	387	29	the	the	DET
eurjchem-2484	387	30	nuclei	nucleus	NOUN
eurjchem-2484	387	31	.	.	PUNCT
eurjchem-2484	388	1	thus	thus	ADV
eurjchem-2484	388	2	,	,	PUNCT
eurjchem-2484	388	3	qtaim	qtaim	NOUN
eurjchem-2484	388	4	is	be	AUX
eurjchem-2484	388	5	a	a	DET
eurjchem-2484	388	6	useful	useful	ADJ
eurjchem-2484	388	7	tool	tool	NOUN
eurjchem-2484	388	8	for	for	ADP
eurjchem-2484	388	9	characterizing	characterize	VERB
eurjchem-2484	388	10	the	the	DET
eurjchem-2484	388	11	topological	topological	ADJ
eurjchem-2484	388	12	properties	property	NOUN
eurjchem-2484	388	13	of	of	ADP
eurjchem-2484	388	14	chemical	chemical	NOUN
eurjchem-2484	388	15	bonds	bond	NOUN
eurjchem-2484	388	16	.	.	PUNCT
eurjchem-2484	389	1	the	the	DET
eurjchem-2484	389	2	presence	presence	NOUN
eurjchem-2484	389	3	of	of	ADP
eurjchem-2484	389	4	chemical	chemical	ADJ
eurjchem-2484	389	5	bonds	bond	NOUN
eurjchem-2484	389	6	between	between	ADP
eurjchem-2484	389	7	atoms	atom	NOUN
eurjchem-2484	389	8	and	and	CCONJ
eurjchem-2484	389	9	interatomic	interatomic	ADJ
eurjchem-2484	389	10	interactions	interaction	NOUN
eurjchem-2484	389	11	is	be	AUX
eurjchem-2484	389	12	revealed	reveal	VERB
eurjchem-2484	389	13	by	by	ADP
eurjchem-2484	389	14	the	the	DET
eurjchem-2484	389	15	presence	presence	NOUN
eurjchem-2484	389	16	of	of	ADP
eurjchem-2484	389	17	bond	bond	NOUN
eurjchem-2484	389	18	critical	critical	ADJ
eurjchem-2484	389	19	points	point	NOUN
eurjchem-2484	389	20	(	(	PUNCT
eurjchem-2484	389	21	bcps	bcps	PROPN
eurjchem-2484	389	22	)	)	PUNCT
eurjchem-2484	389	23	.	.	PUNCT
eurjchem-2484	390	1	the	the	DET
eurjchem-2484	390	2	qtaim	qtaim	NOUN
eurjchem-2484	390	3	method	method	NOUN
eurjchem-2484	390	4	provides	provide	VERB
eurjchem-2484	390	5	information	information	NOUN
eurjchem-2484	390	6	on	on	ADP
eurjchem-2484	390	7	the	the	DET
eurjchem-2484	390	8	electron	electron	NOUN
eurjchem-2484	390	9	density	density	NOUN
eurjchem-2484	390	10	of	of	ADP
eurjchem-2484	390	11	a	a	DET
eurjchem-2484	390	12	system	system	NOUN
eurjchem-2484	390	13	that	that	PRON
eurjchem-2484	390	14	governs	govern	VERB
eurjchem-2484	390	15	the	the	DET
eurjchem-2484	390	16	properties	property	NOUN
eurjchem-2484	390	17	at	at	ADP
eurjchem-2484	390	18	bcps	bcps	PROPN
eurjchem-2484	390	19	.	.	PUNCT
eurjchem-2484	391	1	the	the	DET
eurjchem-2484	391	2	qtaim	qtaim	NOUN
eurjchem-2484	391	3	theory	theory	NOUN
eurjchem-2484	391	4	gives	give	VERB
eurjchem-2484	391	5	information	information	NOUN
eurjchem-2484	391	6	on	on	ADP
eurjchem-2484	391	7	variations	variation	NOUN
eurjchem-2484	391	8	of	of	ADP
eurjchem-2484	391	9	electron	electron	NOUN
eurjchem-2484	391	10	density	density	NOUN
eurjchem-2484	391	11	due	due	ADP
eurjchem-2484	391	12	to	to	ADP
eurjchem-2484	391	13	the	the	DET
eurjchem-2484	391	14	formation	formation	NOUN
eurjchem-2484	391	15	of	of	ADP
eurjchem-2484	391	16	bonds	bond	NOUN
eurjchem-2484	391	17	or	or	CCONJ
eurjchem-2484	391	18	complexes	complex	NOUN
eurjchem-2484	391	19	[	[	X
eurjchem-2484	391	20	43	43	NUM
eurjchem-2484	391	21	]	]	PUNCT
eurjchem-2484	391	22	.	.	PUNCT
eurjchem-2484	392	1	the	the	DET
eurjchem-2484	392	2	qtaim	qtaim	NOUN
eurjchem-2484	392	3	data	datum	NOUN
eurjchem-2484	392	4	of	of	ADP
eurjchem-2484	392	5	4	4	NUM
eurjchem-2484	392	6	-	-	PUNCT
eurjchem-2484	392	7	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	392	8	complex	complex	NOUN
eurjchem-2484	392	9	was	be	AUX
eurjchem-2484	392	10	generated	generate	VERB
eurjchem-2484	392	11	using	use	VERB
eurjchem-2484	392	12	multiwfn	multiwfn	PROPN
eurjchem-2484	392	13	3.7	3.7	NUM
eurjchem-2484	392	14	and	and	CCONJ
eurjchem-2484	392	15	viewed	view	VERB
eurjchem-2484	392	16	with	with	ADP
eurjchem-2484	392	17	the	the	DET
eurjchem-2484	392	18	vmd	vmd	PROPN
eurjchem-2484	392	19	1.9.3	1.9.3	PROPN
eurjchem-2484	392	20	tool	tool	PROPN
eurjchem-2484	392	21	.	.	PUNCT
eurjchem-2484	393	1	in	in	ADP
eurjchem-2484	393	2	the	the	DET
eurjchem-2484	393	3	pictorial	pictorial	ADJ
eurjchem-2484	393	4	plot	plot	NOUN
eurjchem-2484	393	5	of	of	ADP
eurjchem-2484	393	6	the	the	DET
eurjchem-2484	393	7	4	4	NUM
eurjchem-2484	393	8	-	-	PUNCT
eurjchem-2484	393	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	393	10	complex	complex	NOUN
eurjchem-2484	393	11	generated	generate	VERB
eurjchem-2484	393	12	,	,	PUNCT
eurjchem-2484	393	13	the	the	DET
eurjchem-2484	393	14	nonbonded	nonbonded	ADJ
eurjchem-2484	393	15	interactions	interaction	NOUN
eurjchem-2484	393	16	are	be	AUX
eurjchem-2484	393	17	represented	represent	VERB
eurjchem-2484	393	18	by	by	ADP
eurjchem-2484	393	19	the	the	DET
eurjchem-2484	393	20	bond	bond	NOUN
eurjchem-2484	393	21	critical	critical	ADJ
eurjchem-2484	393	22	points	point	NOUN
eurjchem-2484	393	23	of	of	ADP
eurjchem-2484	393	24	curvature	curvature	NOUN
eurjchem-2484	393	25	(	(	PUNCT
eurjchem-2484	393	26	3	3	NUM
eurjchem-2484	393	27	,	,	PUNCT
eurjchem-2484	393	28	-1	-1	PUNCT
eurjchem-2484	393	29	)	)	PUNCT
eurjchem-2484	393	30	as	as	SCONJ
eurjchem-2484	393	31	shown	show	VERB
eurjchem-2484	393	32	in	in	ADP
eurjchem-2484	393	33	figure	figure	NOUN
eurjchem-2484	393	34	17	17	NUM
eurjchem-2484	393	35	.	.	PUNCT
eurjchem-2484	394	1	from	from	ADP
eurjchem-2484	394	2	table	table	NOUN
eurjchem-2484	394	3	7	7	NUM
eurjchem-2484	394	4	and	and	CCONJ
eurjchem-2484	394	5	figure	figure	VERB
eurjchem-2484	394	6	17	17	NUM
eurjchem-2484	394	7	,	,	PUNCT
eurjchem-2484	394	8	it	it	PRON
eurjchem-2484	394	9	is	be	AUX
eurjchem-2484	394	10	observed	observe	VERB
eurjchem-2484	394	11	that	that	SCONJ
eurjchem-2484	394	12	there	there	PRON
eurjchem-2484	394	13	are	be	VERB
eurjchem-2484	394	14	four	four	NUM
eurjchem-2484	394	15	bcps	bcp	NOUN
eurjchem-2484	394	16	between	between	ADP
eurjchem-2484	394	17	nonbonded	nonbonde	VERB
eurjchem-2484	394	18	atoms	atom	NOUN
eurjchem-2484	394	19	(	(	PUNCT
eurjchem-2484	394	20	a	a	NOUN
eurjchem-2484	394	21	)	)	PUNCT
eurjchem-2484	394	22	n	n	CCONJ
eurjchem-2484	394	23	-	-	PUNCT
eurjchem-2484	394	24	h···o	h···o	PROPN
eurjchem-2484	394	25	,	,	PUNCT
eurjchem-2484	394	26	(	(	PUNCT
eurjchem-2484	394	27	b	b	NOUN
eurjchem-2484	394	28	)	)	PUNCT
eurjchem-2484	394	29	n	n	CCONJ
eurjchem-2484	394	30	-	-	PUNCT
eurjchem-2484	394	31	h···o	h···o	PROPN
eurjchem-2484	394	32	,	,	PUNCT
eurjchem-2484	394	33	(	(	PUNCT
eurjchem-2484	394	34	c	c	X
eurjchem-2484	394	35	)	)	PUNCT
eurjchem-2484	394	36	o	o	NOUN
eurjchem-2484	394	37	-	-	PUNCT
eurjchem-2484	394	38	h···o	h···o	PROPN
eurjchem-2484	394	39	,	,	PUNCT
eurjchem-2484	394	40	and	and	CCONJ
eurjchem-2484	394	41	(	(	PUNCT
eurjchem-2484	394	42	d	d	NOUN
eurjchem-2484	394	43	)	)	PUNCT
eurjchem-2484	394	44	n	n	CCONJ
eurjchem-2484	394	45	-	-	PUNCT
eurjchem-2484	394	46	h···o	h···o	PROPN
eurjchem-2484	394	47	and	and	CCONJ
eurjchem-2484	394	48	four	four	NUM
eurjchem-2484	394	49	ring	ring	NOUN
eurjchem-2484	394	50	critical	critical	ADJ
eurjchem-2484	394	51	points	point	NOUN
eurjchem-2484	394	52	(	(	PUNCT
eurjchem-2484	394	53	rcps	rcp	NOUN
eurjchem-2484	394	54	)	)	PUNCT
eurjchem-2484	394	55	.	.	PUNCT
eurjchem-2484	395	1	the	the	DET
eurjchem-2484	395	2	charge	charge	NOUN
eurjchem-2484	395	3	density	density	NOUN
eurjchem-2484	395	4	(	(	PUNCT
eurjchem-2484	395	5	ρ	ρ	PROPN
eurjchem-2484	395	6	)	)	PUNCT
eurjchem-2484	395	7	,	,	PUNCT
eurjchem-2484	395	8	laplacian	laplacian	NOUN
eurjchem-2484	395	9	of	of	ADP
eurjchem-2484	395	10	charge	charge	NOUN
eurjchem-2484	395	11	density	density	NOUN
eurjchem-2484	395	12	(	(	PUNCT
eurjchem-2484	395	13	∇2ρ	∇2ρ	PROPN
eurjchem-2484	395	14	)	)	PUNCT
eurjchem-2484	395	15	,	,	PUNCT
eurjchem-2484	395	16	ellipticity	ellipticity	NOUN
eurjchem-2484	395	17	(	(	PUNCT
eurjchem-2484	395	18	ε	ε	PROPN
eurjchem-2484	395	19	)	)	PUNCT
eurjchem-2484	395	20	,	,	PUNCT
eurjchem-2484	395	21	energy	energy	NOUN
eurjchem-2484	395	22	density	density	NOUN
eurjchem-2484	395	23	h(r	h(r	NOUN
eurjchem-2484	395	24	)	)	PUNCT
eurjchem-2484	395	25	,	,	PUNCT
eurjchem-2484	395	26	and	and	CCONJ
eurjchem-2484	395	27	hydrogen	hydrogen	NOUN
eurjchem-2484	395	28	bond	bond	NOUN
eurjchem-2484	395	29	interaction	interaction	NOUN
eurjchem-2484	395	30	energy	energy	NOUN
eurjchem-2484	395	31	(	(	PUNCT
eurjchem-2484	395	32	ehb	ehb	NOUN
eurjchem-2484	395	33	)	)	PUNCT
eurjchem-2484	395	34	calculated	calculate	VERB
eurjchem-2484	395	35	for	for	SCONJ
eurjchem-2484	395	36	these	these	DET
eurjchem-2484	395	37	four	four	NUM
eurjchem-2484	395	38	bcps	bcps	PROPN
eurjchem-2484	395	39	obtained	obtain	VERB
eurjchem-2484	395	40	from	from	ADP
eurjchem-2484	395	41	qtaim	qtaim	NOUN
eurjchem-2484	395	42	analysis	analysis	NOUN
eurjchem-2484	395	43	are	be	AUX
eurjchem-2484	395	44	given	give	VERB
eurjchem-2484	395	45	in	in	ADP
eurjchem-2484	395	46	table	table	NOUN
eurjchem-2484	395	47	7	7	NUM
eurjchem-2484	395	48	.	.	PUNCT
eurjchem-2484	396	1	the	the	DET
eurjchem-2484	396	2	values	value	NOUN
eurjchem-2484	396	3	of	of	ADP
eurjchem-2484	396	4	ρ(r	ρ(r	PROPN
eurjchem-2484	396	5	)	)	PUNCT
eurjchem-2484	396	6	and	and	CCONJ
eurjchem-2484	396	7	∇2ρ	∇2ρ	PROPN
eurjchem-2484	396	8	at	at	ADP
eurjchem-2484	396	9	bcps	bcps	PROPN
eurjchem-2484	396	10	were	be	AUX
eurjchem-2484	396	11	in	in	ADP
eurjchem-2484	396	12	the	the	DET
eurjchem-2484	396	13	range	range	NOUN
eurjchem-2484	396	14	0.0253	0.0253	NUM
eurjchem-2484	396	15	to	to	ADP
eurjchem-2484	396	16	0.0627	0.0627	NUM
eurjchem-2484	396	17	a.u	a.u	PROPN
eurjchem-2484	396	18	.	.	PROPN
eurjchem-2484	396	19	and	and	CCONJ
eurjchem-2484	396	20	0.0421	0.0421	NUM
eurjchem-2484	396	21	to	to	ADP
eurjchem-2484	396	22	0.1429	0.1429	NUM
eurjchem-2484	396	23	a.u	a.u	PROPN
eurjchem-2484	396	24	.	.	PROPN
eurjchem-2484	396	25	,	,	PUNCT
eurjchem-2484	396	26	respectively	respectively	ADV
eurjchem-2484	396	27	(	(	PUNCT
eurjchem-2484	396	28	table	table	NOUN
eurjchem-2484	396	29	7	7	NUM
eurjchem-2484	396	30	)	)	PUNCT
eurjchem-2484	396	31	and	and	CCONJ
eurjchem-2484	396	32	therefore	therefore	ADV
eurjchem-2484	396	33	satisfy	satisfy	VERB
eurjchem-2484	396	34	the	the	DET
eurjchem-2484	396	35	koch	koch	PROPN
eurjchem-2484	396	36	and	and	CCONJ
eurjchem-2484	396	37	popelier	popeli	ADJ
eurjchem-2484	396	38	criterion	criterion	NOUN
eurjchem-2484	396	39	[	[	X
eurjchem-2484	396	40	44	44	NUM
eurjchem-2484	396	41	]	]	PUNCT
eurjchem-2484	396	42	.	.	PUNCT
eurjchem-2484	397	1	bond	bond	NOUN
eurjchem-2484	397	2	ellipticity	ellipticity	NOUN
eurjchem-2484	397	3	(	(	PUNCT
eurjchem-2484	397	4	ϵ	ϵ	NOUN
eurjchem-2484	397	5	)	)	PUNCT
eurjchem-2484	397	6	at	at	ADP
eurjchem-2484	397	7	different	different	ADJ
eurjchem-2484	397	8	bcps	bcps	PROPN
eurjchem-2484	397	9	is	be	AUX
eurjchem-2484	397	10	defined	define	VERB
eurjchem-2484	397	11	as	as	ADP
eurjchem-2484	397	12	ε	ε	PROPN
eurjchem-2484	397	13	=(	=(	PROPN
eurjchem-2484	397	14	(	(	PUNCT
eurjchem-2484	397	15	λ1	λ1	PROPN
eurjchem-2484	397	16	/	/	SYM
eurjchem-2484	397	17	λ2)-1	λ2)-1	NOUN
eurjchem-2484	397	18	)	)	PUNCT
eurjchem-2484	397	19	,	,	PUNCT
eurjchem-2484	397	20	where	where	SCONJ
eurjchem-2484	397	21	λ1	λ1	ADJ
eurjchem-2484	397	22	and	and	CCONJ
eurjchem-2484	397	23	λ2	λ2	NOUN
eurjchem-2484	397	24	are	be	AUX
eurjchem-2484	397	25	eigen	eigen	PROPN
eurjchem-2484	397	26	values	value	NOUN
eurjchem-2484	397	27	of	of	ADP
eurjchem-2484	397	28	hessian	hessian	NOUN
eurjchem-2484	397	29	of	of	ADP
eurjchem-2484	397	30	the	the	DET
eurjchem-2484	397	31	electron	electron	NOUN
eurjchem-2484	397	32	density	density	NOUN
eurjchem-2484	397	33	at	at	ADP
eurjchem-2484	397	34	bcp	bcp	PROPN
eurjchem-2484	397	35	.	.	PUNCT
eurjchem-2484	398	1	this	this	DET
eurjchem-2484	398	2	quantity	quantity	NOUN
eurjchem-2484	398	3	estimates	estimate	VERB
eurjchem-2484	398	4	the	the	DET
eurjchem-2484	398	5	extent	extent	NOUN
eurjchem-2484	398	6	to	to	PART
eurjchem-2484	398	7	which	which	PRON
eurjchem-2484	398	8	the	the	DET
eurjchem-2484	398	9	electron	electron	NOUN
eurjchem-2484	398	10	density	density	NOUN
eurjchem-2484	398	11	is	be	AUX
eurjchem-2484	398	12	deformed	deform	VERB
eurjchem-2484	398	13	in	in	ADP
eurjchem-2484	398	14	one	one	NUM
eurjchem-2484	398	15	direction	direction	NOUN
eurjchem-2484	398	16	relative	relative	ADJ
eurjchem-2484	398	17	to	to	ADP
eurjchem-2484	398	18	another	another	PRON
eurjchem-2484	398	19	.	.	PUNCT
eurjchem-2484	399	1	thus	thus	ADV
eurjchem-2484	399	2	,	,	PUNCT
eurjchem-2484	399	3	bond	bond	NOUN
eurjchem-2484	399	4	ellipticity	ellipticity	NOUN
eurjchem-2484	399	5	is	be	AUX
eurjchem-2484	399	6	a	a	DET
eurjchem-2484	399	7	measure	measure	NOUN
eurjchem-2484	399	8	of	of	ADP
eurjchem-2484	399	9	anisotropy	anisotropy	NOUN
eurjchem-2484	399	10	of	of	ADP
eurjchem-2484	399	11	the	the	DET
eurjchem-2484	399	12	curvature	curvature	NOUN
eurjchem-2484	399	13	of	of	ADP
eurjchem-2484	399	14	the	the	DET
eurjchem-2484	399	15	electron	electron	NOUN
eurjchem-2484	399	16	density	density	NOUN
eurjchem-2484	399	17	(	(	PUNCT
eurjchem-2484	399	18	ρ(r	ρ(r	PROPN
eurjchem-2484	399	19	)	)	PUNCT
eurjchem-2484	399	20	)	)	PUNCT
eurjchem-2484	399	21	in	in	ADP
eurjchem-2484	399	22	the	the	DET
eurjchem-2484	399	23	direction	direction	NOUN
eurjchem-2484	399	24	normal	normal	ADJ
eurjchem-2484	399	25	to	to	AUX
eurjchem-2484	399	26	bond	bond	VERB
eurjchem-2484	399	27	[	[	X
eurjchem-2484	399	28	43,45	43,45	NOUN
eurjchem-2484	399	29	]	]	PUNCT
eurjchem-2484	399	30	.	.	PUNCT
eurjchem-2484	400	1	therefore	therefore	ADV
eurjchem-2484	400	2	,	,	PUNCT
eurjchem-2484	400	3	ellipticity	ellipticity	NOUN
eurjchem-2484	400	4	provides	provide	VERB
eurjchem-2484	400	5	a	a	DET
eurjchem-2484	400	6	measure	measure	NOUN
eurjchem-2484	400	7	of	of	ADP
eurjchem-2484	400	8	π	π	PROPN
eurjchem-2484	400	9	or	or	CCONJ
eurjchem-2484	400	10	σ	σ	NUM
eurjchem-2484	400	11	character	character	NOUN
eurjchem-2484	400	12	of	of	ADP
eurjchem-2484	400	13	the	the	DET
eurjchem-2484	400	14	chemical	chemical	NOUN
eurjchem-2484	400	15	bonds	bond	NOUN
eurjchem-2484	400	16	.	.	PUNCT
eurjchem-2484	401	1	hence	hence	ADV
eurjchem-2484	401	2	,	,	PUNCT
eurjchem-2484	401	3	the	the	DET
eurjchem-2484	401	4	ellipticity	ellipticity	NOUN
eurjchem-2484	401	5	factor	factor	NOUN
eurjchem-2484	401	6	reflects	reflect	VERB
eurjchem-2484	401	7	the	the	DET
eurjchem-2484	401	8	stability	stability	NOUN
eurjchem-2484	401	9	of	of	ADP
eurjchem-2484	401	10	the	the	DET
eurjchem-2484	401	11	bonds	bond	NOUN
eurjchem-2484	401	12	[	[	X
eurjchem-2484	401	13	45	45	NUM
eurjchem-2484	401	14	]	]	PUNCT
eurjchem-2484	401	15	.	.	PUNCT
eurjchem-2484	402	1	a	a	DET
eurjchem-2484	402	2	high	high	ADJ
eurjchem-2484	402	3	value	value	NOUN
eurjchem-2484	402	4	of	of	ADP
eurjchem-2484	402	5	ellipticity	ellipticity	NOUN
eurjchem-2484	402	6	(	(	PUNCT
eurjchem-2484	402	7	ε	ε	PROPN
eurjchem-2484	402	8	>	>	X
eurjchem-2484	402	9	0.1	0.1	NUM
eurjchem-2484	402	10	)	)	PUNCT
eurjchem-2484	402	11	indicates	indicate	VERB
eurjchem-2484	402	12	a	a	DET
eurjchem-2484	402	13	π	π	PROPN
eurjchem-2484	402	14	character	character	NOUN
eurjchem-2484	402	15	of	of	ADP
eurjchem-2484	402	16	the	the	DET
eurjchem-2484	402	17	bond	bond	NOUN
eurjchem-2484	402	18	,	,	PUNCT
eurjchem-2484	402	19	while	while	SCONJ
eurjchem-2484	402	20	a	a	DET
eurjchem-2484	402	21	lower	low	ADJ
eurjchem-2484	402	22	value	value	NOUN
eurjchem-2484	402	23	reflects	reflect	VERB
eurjchem-2484	402	24	an	an	DET
eurjchem-2484	402	25	σ	σ	NOUN
eurjchem-2484	402	26	character	character	NOUN
eurjchem-2484	402	27	of	of	ADP
eurjchem-2484	402	28	the	the	DET
eurjchem-2484	402	29	bond	bond	NOUN
eurjchem-2484	402	30	.	.	PUNCT
eurjchem-2484	403	1	in	in	ADP
eurjchem-2484	403	2	the	the	DET
eurjchem-2484	403	3	4	4	NUM
eurjchem-2484	403	4	-	-	PUNCT
eurjchem-2484	403	5	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	403	6	complex	complex	NOUN
eurjchem-2484	403	7	,	,	PUNCT
eurjchem-2484	403	8	the	the	DET
eurjchem-2484	403	9	value	value	NOUN
eurjchem-2484	403	10	of	of	ADP
eurjchem-2484	403	11	the	the	DET
eurjchem-2484	403	12	four	four	NUM
eurjchem-2484	403	13	bcps	bcps	PROPN
eurjchem-2484	403	14	was	be	AUX
eurjchem-2484	403	15	in	in	ADP
eurjchem-2484	403	16	the	the	DET
eurjchem-2484	403	17	range	range	NOUN
eurjchem-2484	403	18	0.0295	0.0295	NUM
eurjchem-2484	403	19	to	to	ADP
eurjchem-2484	403	20	0.0963	0.0963	NUM
eurjchem-2484	403	21	indicate	indicate	VERB
eurjchem-2484	403	22	these	these	DET
eurjchem-2484	403	23	interactions	interaction	NOUN
eurjchem-2484	403	24	to	to	PART
eurjchem-2484	403	25	have	have	VERB
eurjchem-2484	403	26	σ	σ	NOUN
eurjchem-2484	403	27	character	character	NOUN
eurjchem-2484	403	28	(	(	PUNCT
eurjchem-2484	403	29	table	table	NOUN
eurjchem-2484	403	30	7	7	NUM
eurjchem-2484	403	31	)	)	PUNCT
eurjchem-2484	403	32	.	.	PUNCT
eurjchem-2484	404	1	the	the	DET
eurjchem-2484	404	2	interaction	interaction	NOUN
eurjchem-2484	404	3	energies	energy	NOUN
eurjchem-2484	404	4	at	at	ADP
eurjchem-2484	404	5	the	the	DET
eurjchem-2484	404	6	bcps	bcps	PROPN
eurjchem-2484	404	7	are	be	AUX
eurjchem-2484	404	8	calculated	calculate	VERB
eurjchem-2484	404	9	using	use	VERB
eurjchem-2484	404	10	the	the	DET
eurjchem-2484	404	11	equation	equation	NOUN
eurjchem-2484	404	12	(	(	PUNCT
eurjchem-2484	404	13	2	2	NUM
eurjchem-2484	404	14	and	and	CCONJ
eurjchem-2484	404	15	3	3	NUM
eurjchem-2484	404	16	)	)	PUNCT
eurjchem-2484	404	17	proposed	propose	VERB
eurjchem-2484	404	18	by	by	ADP
eurjchem-2484	404	19	emamian	emamian	PROPN
eurjchem-2484	404	20	et	et	PROPN
eurjchem-2484	404	21	al	al	PROPN
eurjchem-2484	404	22	.	.	PUNCT
eurjchem-2484	405	1	[	[	X
eurjchem-2484	405	2	46	46	NUM
eurjchem-2484	405	3	]	]	PUNCT
eurjchem-2484	405	4	.	.	PUNCT
eurjchem-2484	406	1	be(kcal	be(kcal	ADJ
eurjchem-2484	406	2	/	/	SYM
eurjchem-2484	406	3	mole	mole	NOUN
eurjchem-2484	406	4	)	)	PUNCT
eurjchem-2484	407	1	=	=	SYM
eurjchem-2484	407	2	-332.34	-332.34	PROPN
eurjchem-2484	407	3	×	×	NOUN
eurjchem-2484	407	4	ρ(rbcp)(a.u	ρ(rbcp)(a.u	NUM
eurjchem-2484	407	5	)	)	PUNCT
eurjchem-2484	407	6	1.0661	1.0661	NUM
eurjchem-2484	407	7	(	(	PUNCT
eurjchem-2484	407	8	2	2	NUM
eurjchem-2484	407	9	)	)	PUNCT
eurjchem-2484	407	10	(	(	PUNCT
eurjchem-2484	407	11	for	for	ADP
eurjchem-2484	407	12	charged	charge	VERB
eurjchem-2484	407	13	complex	complex	NOUN
eurjchem-2484	407	14	)	)	PUNCT
eurjchem-2484	407	15	with	with	ADP
eurjchem-2484	407	16	a	a	DET
eurjchem-2484	407	17	mean	mean	ADJ
eurjchem-2484	407	18	absolute	absolute	ADJ
eurjchem-2484	407	19	percentage	percentage	NOUN
eurjchem-2484	407	20	error	error	NOUN
eurjchem-2484	407	21	(	(	PUNCT
eurjchem-2484	407	22	mape	mape	NOUN
eurjchem-2484	407	23	)	)	PUNCT
eurjchem-2484	407	24	of	of	ADP
eurjchem-2484	407	25	10	10	NUM
eurjchem-2484	407	26	%	%	NOUN
eurjchem-2484	407	27	be(kcal	be(kcal	NOUN
eurjchem-2484	407	28	/	/	SYM
eurjchem-2484	407	29	mole	mole	NOUN
eurjchem-2484	407	30	)	)	PUNCT
eurjchem-2484	407	31	=	=	PUNCT
eurjchem-2484	408	1	-223.08	-223.08	ADJ
eurjchem-2484	408	2	×	×	NOUN
eurjchem-2484	408	3	ρ(rbcp)(a.u	ρ(rbcp)(a.u	NUM
eurjchem-2484	408	4	)	)	PUNCT
eurjchem-2484	409	1	+	+	CCONJ
eurjchem-2484	409	2	0.7423	0.7423	NUM
eurjchem-2484	409	3	(	(	PUNCT
eurjchem-2484	409	4	3	3	NUM
eurjchem-2484	409	5	)	)	PUNCT
eurjchem-2484	409	6	(	(	PUNCT
eurjchem-2484	409	7	for	for	ADP
eurjchem-2484	409	8	neutral	neutral	ADJ
eurjchem-2484	409	9	complex	complex	NOUN
eurjchem-2484	409	10	)	)	PUNCT
eurjchem-2484	409	11	with	with	ADP
eurjchem-2484	409	12	a	a	DET
eurjchem-2484	409	13	mean	mean	ADJ
eurjchem-2484	409	14	absolute	absolute	ADJ
eurjchem-2484	409	15	percentage	percentage	NOUN
eurjchem-2484	409	16	error	error	NOUN
eurjchem-2484	409	17	(	(	PUNCT
eurjchem-2484	409	18	mape	mape	NOUN
eurjchem-2484	409	19	)	)	PUNCT
eurjchem-2484	409	20	of	of	ADP
eurjchem-2484	409	21	14.7	14.7	NUM
eurjchem-2484	409	22	%	%	NOUN
eurjchem-2484	409	23	4	4	NUM
eurjchem-2484	409	24	-	-	PUNCT
eurjchem-2484	409	25	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	409	26	is	be	AUX
eurjchem-2484	409	27	a	a	DET
eurjchem-2484	409	28	charged	charge	VERB
eurjchem-2484	409	29	complex	complex	NOUN
eurjchem-2484	409	30	.	.	PUNCT
eurjchem-2484	410	1	the	the	DET
eurjchem-2484	410	2	calculated	calculate	VERB
eurjchem-2484	410	3	interaction	interaction	NOUN
eurjchem-2484	410	4	energies	energy	NOUN
eurjchem-2484	410	5	(	(	PUNCT
eurjchem-2484	410	6	kcal	kcal	NOUN
eurjchem-2484	410	7	/	/	SYM
eurjchem-2484	410	8	mol	mol	NOUN
eurjchem-2484	410	9	)	)	PUNCT
eurjchem-2484	410	10	for	for	ADP
eurjchem-2484	410	11	bcp	bcp	NOUN
eurjchem-2484	410	12	at	at	ADP
eurjchem-2484	410	13	a	a	DET
eurjchem-2484	410	14	,	,	PUNCT
eurjchem-2484	410	15	b	b	PROPN
eurjchem-2484	410	16	,	,	PUNCT
eurjchem-2484	410	17	c	c	NOUN
eurjchem-2484	410	18	,	,	PUNCT
eurjchem-2484	410	19	and	and	CCONJ
eurjchem-2484	410	20	d	d	NOUN
eurjchem-2484	410	21	were	be	AUX
eurjchem-2484	410	22	9.48739	9.48739	NUM
eurjchem-2484	410	23	,	,	PUNCT
eurjchem-2484	410	24	-21.92024	-21.92024	NUM
eurjchem-2484	410	25	,	,	PUNCT
eurjchem-2484	410	26	-12.90466	-12.90466	PUNCT
eurjchem-2484	410	27	and	and	CCONJ
eurjchem-2484	410	28	-17.95912	-17.95912	NUM
eurjchem-2484	410	29	,	,	PUNCT
eurjchem-2484	410	30	respectively	respectively	ADV
eurjchem-2484	410	31	(	(	PUNCT
eurjchem-2484	410	32	table	table	NOUN
eurjchem-2484	410	33	7	7	NUM
eurjchem-2484	410	34	)	)	PUNCT
eurjchem-2484	410	35	.	.	PUNCT
eurjchem-2484	411	1	thus	thus	ADV
eurjchem-2484	411	2	,	,	PUNCT
eurjchem-2484	411	3	the	the	DET
eurjchem-2484	411	4	interaction	interaction	NOUN
eurjchem-2484	411	5	energy	energy	NOUN
eurjchem-2484	411	6	for	for	ADP
eurjchem-2484	411	7	bcp	bcp	PROPN
eurjchem-2484	411	8	at	at	ADP
eurjchem-2484	411	9	b	b	PROPN
eurjchem-2484	411	10	>	>	X
eurjchem-2484	411	11	d	d	X
eurjchem-2484	411	12	>	>	X
eurjchem-2484	411	13	c	c	X
eurjchem-2484	411	14	>	>	PUNCT
eurjchem-2484	411	15	a.	a.	PROPN
eurjchem-2484	411	16	therefore	therefore	ADV
eurjchem-2484	411	17	,	,	PUNCT
eurjchem-2484	411	18	the	the	DET
eurjchem-2484	411	19	strongest	strong	ADJ
eurjchem-2484	411	20	non	non	ADJ
eurjchem-2484	411	21	-	-	ADJ
eurjchem-2484	411	22	bonded	bonded	ADJ
eurjchem-2484	411	23	interaction	interaction	NOUN
eurjchem-2484	411	24	(	(	PUNCT
eurjchem-2484	411	25	hydrogen	hydrogen	NOUN
eurjchem-2484	411	26	bond	bond	NOUN
eurjchem-2484	411	27	)	)	PUNCT
eurjchem-2484	411	28	in	in	ADP
eurjchem-2484	411	29	the	the	DET
eurjchem-2484	411	30	4	4	NUM
eurjchem-2484	411	31	-	-	PUNCT
eurjchem-2484	411	32	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	411	33	complex	complex	NOUN
eurjchem-2484	411	34	was	be	AUX
eurjchem-2484	411	35	for	for	SCONJ
eurjchem-2484	411	36	the	the	DET
eurjchem-2484	411	37	bcp	bcp	PROPN
eurjchem-2484	411	38	at	at	ADP
eurjchem-2484	411	39	n	n	CCONJ
eurjchem-2484	411	40	-	-	PUNCT
eurjchem-2484	411	41	h···o	h···o	PROPN
eurjchem-2484	411	42	(	(	PUNCT
eurjchem-2484	411	43	b	b	NOUN
eurjchem-2484	411	44	)	)	PUNCT
eurjchem-2484	411	45	having	have	VERB
eurjchem-2484	411	46	the	the	DET
eurjchem-2484	411	47	value	value	NOUN
eurjchem-2484	411	48	of	of	ADP
eurjchem-2484	411	49	-21.9202	-21.9202	INTJ
eurjchem-2484	411	50	kcal	kcal	PROPN
eurjchem-2484	411	51	/	/	SYM
eurjchem-2484	411	52	mol	mol	PROPN
eurjchem-2484	411	53	.	.	PROPN
eurjchem-2484	411	54	14	14	NUM
eurjchem-2484	411	55	lata	lata	PROPN
eurjchem-2484	411	56	panicker	panicker	PROPN
eurjchem-2484	411	57	/	/	SYM
eurjchem-2484	411	58	european	european	PROPN
eurjchem-2484	411	59	journal	journal	PROPN
eurjchem-2484	411	60	of	of	ADP
eurjchem-2484	411	61	chemistry	chemistry	NOUN
eurjchem-2484	411	62	15	15	NUM
eurjchem-2484	411	63	(	(	PUNCT
eurjchem-2484	411	64	1	1	NUM
eurjchem-2484	411	65	)	)	PUNCT
eurjchem-2484	411	66	(	(	PUNCT
eurjchem-2484	411	67	2024	2024	NUM
eurjchem-2484	411	68	)	)	PUNCT
eurjchem-2484	412	1	1	1	NUM
eurjchem-2484	412	2	-	-	SYM
eurjchem-2484	412	3	16	16	NUM
eurjchem-2484	412	4	2024	2024	NUM
eurjchem-2484	412	5	–	–	PUNCT
eurjchem-2484	412	6	european	european	ADJ
eurjchem-2484	412	7	journal	journal	NOUN
eurjchem-2484	412	8	of	of	ADP
eurjchem-2484	412	9	chemistry	chemistry	NOUN
eurjchem-2484	412	10	–	–	PUNCT
eurjchem-2484	412	11	cc	cc	NOUN
eurjchem-2484	412	12	by	by	ADP
eurjchem-2484	412	13	nc	nc	PROPN
eurjchem-2484	412	14	–	–	PUNCT
eurjchem-2484	412	15	doi	doi	PROPN
eurjchem-2484	412	16	:	:	PUNCT
eurjchem-2484	412	17	10.5155	10.5155	NUM
eurjchem-2484	412	18	/	/	SYM
eurjchem-2484	412	19	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	412	20	-	-	SYM
eurjchem-2484	412	21	16.2484	16.2484	NUM
eurjchem-2484	412	22	table	table	NOUN
eurjchem-2484	412	23	7	7	NUM
eurjchem-2484	412	24	.	.	PUNCT
eurjchem-2484	413	1	parameters	parameter	NOUN
eurjchem-2484	413	2	obtained	obtain	VERB
eurjchem-2484	413	3	from	from	ADP
eurjchem-2484	413	4	qtaim	qtaim	NOUN
eurjchem-2484	413	5	analysis	analysis	NOUN
eurjchem-2484	413	6	:	:	PUNCT
eurjchem-2484	413	7	charge	charge	NOUN
eurjchem-2484	413	8	density	density	NOUN
eurjchem-2484	413	9	(	(	PUNCT
eurjchem-2484	413	10	ρ(r	ρ(r	PROPN
eurjchem-2484	413	11	)	)	PUNCT
eurjchem-2484	413	12	)	)	PUNCT
eurjchem-2484	413	13	,	,	PUNCT
eurjchem-2484	413	14	laplacian	laplacian	NOUN
eurjchem-2484	413	15	of	of	ADP
eurjchem-2484	413	16	charge	charge	NOUN
eurjchem-2484	413	17	density	density	NOUN
eurjchem-2484	413	18	(	(	PUNCT
eurjchem-2484	413	19	∇2ρ	∇2ρ	PROPN
eurjchem-2484	413	20	)	)	PUNCT
eurjchem-2484	413	21	,	,	PUNCT
eurjchem-2484	413	22	ellipticity	ellipticity	NOUN
eurjchem-2484	413	23	(	(	PUNCT
eurjchem-2484	413	24	ε	ε	PROPN
eurjchem-2484	413	25	)	)	PUNCT
eurjchem-2484	413	26	,	,	PUNCT
eurjchem-2484	413	27	potential	potential	ADJ
eurjchem-2484	413	28	energy	energy	NOUN
eurjchem-2484	413	29	density	density	NOUN
eurjchem-2484	413	30	v(r	v(r	PROPN
eurjchem-2484	413	31	)	)	PUNCT
eurjchem-2484	413	32	,	,	PUNCT
eurjchem-2484	413	33	energy	energy	NOUN
eurjchem-2484	413	34	density	density	NOUN
eurjchem-2484	413	35	h(r	h(r	NOUN
eurjchem-2484	413	36	)	)	PUNCT
eurjchem-2484	413	37	and	and	CCONJ
eurjchem-2484	413	38	calculated	calculate	VERB
eurjchem-2484	413	39	h	h	NOUN
eurjchem-2484	413	40	-	-	PUNCT
eurjchem-2484	413	41	bond	bond	NOUN
eurjchem-2484	413	42	interaction	interaction	NOUN
eurjchem-2484	413	43	energy	energy	NOUN
eurjchem-2484	413	44	(	(	PUNCT
eurjchem-2484	413	45	ehb	ehb	PROPN
eurjchem-2484	413	46	)	)	PUNCT
eurjchem-2484	413	47	for	for	ADP
eurjchem-2484	413	48	the	the	DET
eurjchem-2484	413	49	bcps	bcps	PROPN
eurjchem-2484	413	50	of	of	ADP
eurjchem-2484	413	51	the	the	DET
eurjchem-2484	413	52	4	4	NUM
eurjchem-2484	413	53	-	-	PUNCT
eurjchem-2484	413	54	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	413	55	complex	complex	NOUN
eurjchem-2484	413	56	.	.	PUNCT
eurjchem-2484	414	1	bcp	bcp	PROPN
eurjchem-2484	414	2	(	(	PUNCT
eurjchem-2484	414	3	interacting	interact	VERB
eurjchem-2484	414	4	groups	group	NOUN
eurjchem-2484	414	5	)	)	PUNCT
eurjchem-2484	414	6	density	density	NOUN
eurjchem-2484	414	7	of	of	ADP
eurjchem-2484	414	8	all	all	DET
eurjchem-2484	414	9	electrons	electron	NOUN
eurjchem-2484	414	10	ρ(r	ρ(r	NOUN
eurjchem-2484	414	11	)	)	PUNCT
eurjchem-2484	414	12	(	(	PUNCT
eurjchem-2484	414	13	a.u	a.u	PROPN
eurjchem-2484	414	14	.	.	NOUN
eurjchem-2484	414	15	)	)	PUNCT
eurjchem-2484	415	1	laplacian	laplacian	NOUN
eurjchem-2484	415	2	of	of	ADP
eurjchem-2484	415	3	charge	charge	NOUN
eurjchem-2484	415	4	density	density	NOUN
eurjchem-2484	415	5	∇2ρ	∇2ρ	PROPN
eurjchem-2484	415	6	(	(	PUNCT
eurjchem-2484	415	7	a.u	a.u	PROPN
eurjchem-2484	415	8	.	.	PROPN
eurjchem-2484	415	9	)	)	PUNCT
eurjchem-2484	415	10	ellipticity	ellipticity	NOUN
eurjchem-2484	415	11	of	of	ADP
eurjchem-2484	415	12	electron	electron	NOUN
eurjchem-2484	415	13	density	density	NOUN
eurjchem-2484	415	14	,	,	PUNCT
eurjchem-2484	415	15	ε	ε	PROPN
eurjchem-2484	415	16	energy	energy	NOUN
eurjchem-2484	415	17	density	density	NOUN
eurjchem-2484	415	18	h(r	h(r	NOUN
eurjchem-2484	415	19	)	)	PUNCT
eurjchem-2484	415	20	(	(	PUNCT
eurjchem-2484	415	21	a.u	a.u	PROPN
eurjchem-2484	415	22	)	)	PUNCT
eurjchem-2484	415	23	ehb	ehb	NOUN
eurjchem-2484	415	24	(	(	PUNCT
eurjchem-2484	415	25	kcal	kcal	PROPN
eurjchem-2484	415	26	/	/	SYM
eurjchem-2484	415	27	mol	mol	NOUN
eurjchem-2484	415	28	)	)	PUNCT
eurjchem-2484	415	29	(	(	PUNCT
eurjchem-2484	415	30	a	a	NOUN
eurjchem-2484	415	31	)	)	PUNCT
eurjchem-2484	415	32	n	n	CCONJ
eurjchem-2484	415	33	-	-	PUNCT
eurjchem-2484	415	34	h···o	h···o	PROPN
eurjchem-2484	415	35	,	,	PUNCT
eurjchem-2484	415	36	(	(	PUNCT
eurjchem-2484	415	37	-nh3+···h2po4	-nh3+···h2po4	NOUN
eurjchem-2484	415	38	–	–	PUNCT
eurjchem-2484	415	39	)	)	PUNCT
eurjchem-2484	415	40	0.02534	0.02534	NUM
eurjchem-2484	415	41	0.08930	0.08930	NUM
eurjchem-2484	415	42	0.029521	0.029521	NUM
eurjchem-2484	415	43	-0.0002	-0.0002	NOUN
eurjchem-2484	415	44	-9.48739	-9.48739	NOUN
eurjchem-2484	416	1	(	(	PUNCT
eurjchem-2484	416	2	b	b	NOUN
eurjchem-2484	416	3	)	)	PUNCT
eurjchem-2484	416	4	n	n	CCONJ
eurjchem-2484	416	5	-	-	PUNCT
eurjchem-2484	416	6	h···o	h···o	PROPN
eurjchem-2484	416	7	,	,	PUNCT
eurjchem-2484	416	8	(	(	PUNCT
eurjchem-2484	416	9	-nh3+···h2po4	-nh3+···h2po4	NOUN
eurjchem-2484	416	10	–	–	PUNCT
eurjchem-2484	416	11	)	)	PUNCT
eurjchem-2484	416	12	0.06275	0.06275	NUM
eurjchem-2484	416	13	0.18648	0.18648	NUM
eurjchem-2484	416	14	0.061555	0.061555	NUM
eurjchem-2484	416	15	-0.0054	-0.0054	NOUN
eurjchem-2484	416	16	-21.92024	-21.92024	PUNCT
eurjchem-2484	416	17	(	(	PUNCT
eurjchem-2484	416	18	c	c	NOUN
eurjchem-2484	416	19	)	)	PUNCT
eurjchem-2484	416	20	o	o	NOUN
eurjchem-2484	416	21	-	-	PUNCT
eurjchem-2484	416	22	h···o	h···o	PROPN
eurjchem-2484	416	23	,	,	PUNCT
eurjchem-2484	416	24	(	(	PUNCT
eurjchem-2484	416	25	water···h2po4	water···h2po4	PROPN
eurjchem-2484	416	26	–	–	PUNCT
eurjchem-2484	416	27	)	)	PUNCT
eurjchem-2484	417	1	0.03562	0.03562	NUM
eurjchem-2484	417	2	0.11162	0.11162	NUM
eurjchem-2484	417	3	0.096310	0.096310	NUM
eurjchem-2484	417	4	-0.0023	-0.0023	NOUN
eurjchem-2484	417	5	-12.90466	-12.90466	PUNCT
eurjchem-2484	417	6	(	(	PUNCT
eurjchem-2484	417	7	d	d	NOUN
eurjchem-2484	417	8	)	)	PUNCT
eurjchem-2484	417	9	n	n	CCONJ
eurjchem-2484	417	10	-	-	PUNCT
eurjchem-2484	417	11	h···o	h···o	PROPN
eurjchem-2484	417	12	,	,	PUNCT
eurjchem-2484	417	13	(	(	PUNCT
eurjchem-2484	417	14	-nh3+···water	-nh3+···water	NOUN
eurjchem-2484	417	15	)	)	PUNCT
eurjchem-2484	417	16	0.05083	0.05083	PROPN
eurjchem-2484	417	17	0.15592	0.15592	NUM
eurjchem-2484	417	18	0.040958	0.040958	NUM
eurjchem-2484	417	19	-0.0032	-0.0032	NUM
eurjchem-2484	417	20	-17.95912	-17.95912	PUNCT
eurjchem-2484	417	21	(	(	PUNCT
eurjchem-2484	417	22	a	a	NOUN
eurjchem-2484	417	23	)	)	PUNCT
eurjchem-2484	417	24	(	(	PUNCT
eurjchem-2484	417	25	b	b	X
eurjchem-2484	417	26	)	)	PUNCT
eurjchem-2484	417	27	figure	figure	NOUN
eurjchem-2484	417	28	16	16	NUM
eurjchem-2484	417	29	.	.	PUNCT
eurjchem-2484	418	1	the	the	DET
eurjchem-2484	418	2	non	non	ADJ
eurjchem-2484	418	3	-	-	ADJ
eurjchem-2484	418	4	covalent	covalent	ADJ
eurjchem-2484	418	5	interaction	interaction	NOUN
eurjchem-2484	418	6	in	in	ADP
eurjchem-2484	418	7	4	4	NUM
eurjchem-2484	418	8	-	-	PUNCT
eurjchem-2484	418	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	418	10	complex	complex	NOUN
eurjchem-2484	418	11	depicted	depict	VERB
eurjchem-2484	418	12	by	by	ADP
eurjchem-2484	418	13	the	the	DET
eurjchem-2484	418	14	presence	presence	NOUN
eurjchem-2484	418	15	of	of	ADP
eurjchem-2484	418	16	(	(	PUNCT
eurjchem-2484	418	17	a	a	PRON
eurjchem-2484	418	18	)	)	PUNCT
eurjchem-2484	418	19	spikes	spike	NOUN
eurjchem-2484	418	20	obtained	obtain	VERB
eurjchem-2484	418	21	by	by	ADP
eurjchem-2484	418	22	plotting	plot	VERB
eurjchem-2484	418	23	the	the	DET
eurjchem-2484	418	24	sign(λ2)ρ	sign(λ2)ρ	NOUN
eurjchem-2484	418	25	(	(	PUNCT
eurjchem-2484	418	26	a.u	a.u	PROPN
eurjchem-2484	418	27	.	.	PUNCT
eurjchem-2484	418	28	)	)	PUNCT
eurjchem-2484	418	29	function	function	NOUN
eurjchem-2484	418	30	against	against	ADP
eurjchem-2484	418	31	rdg(r	rdg(r	PROPN
eurjchem-2484	418	32	)	)	PUNCT
eurjchem-2484	418	33	and	and	CCONJ
eurjchem-2484	418	34	(	(	PUNCT
eurjchem-2484	418	35	b	b	NOUN
eurjchem-2484	418	36	)	)	PUNCT
eurjchem-2484	418	37	rdg	rdg	NOUN
eurjchem-2484	418	38	isosurfaces	isosurface	NOUN
eurjchem-2484	418	39	obtained	obtain	VERB
eurjchem-2484	418	40	by	by	ADP
eurjchem-2484	418	41	plotting	plot	VERB
eurjchem-2484	418	42	ncl	ncl	NOUN
eurjchem-2484	418	43	iso	iso	NOUN
eurjchem-2484	418	44	-	-	PUNCT
eurjchem-2484	418	45	surface	surface	NOUN
eurjchem-2484	418	46	at	at	ADP
eurjchem-2484	418	47	0.5	0.5	NUM
eurjchem-2484	418	48	iso	iso	NOUN
eurjchem-2484	418	49	-	-	PUNCT
eurjchem-2484	418	50	value	value	NOUN
eurjchem-2484	418	51	(	(	PUNCT
eurjchem-2484	418	52	blue	blue	NOUN
eurjchem-2484	418	53	:	:	PUNCT
eurjchem-2484	418	54	h	h	NOUN
eurjchem-2484	418	55	-	-	PUNCT
eurjchem-2484	418	56	bond	bond	NOUN
eurjchem-2484	418	57	,	,	PUNCT
eurjchem-2484	418	58	green	green	ADJ
eurjchem-2484	418	59	:	:	PUNCT
eurjchem-2484	418	60	van	van	PROPN
eurjchem-2484	418	61	der	der	NOUN
eurjchem-2484	418	62	waals	waal	NOUN
eurjchem-2484	418	63	attraction	attraction	NOUN
eurjchem-2484	418	64	and	and	CCONJ
eurjchem-2484	418	65	red	red	ADJ
eurjchem-2484	418	66	:	:	PUNCT
eurjchem-2484	418	67	steric	steric	ADJ
eurjchem-2484	418	68	hindrance	hindrance	NOUN
eurjchem-2484	418	69	)	)	PUNCT
eurjchem-2484	418	70	.	.	PUNCT
eurjchem-2484	419	1	figure	figure	NOUN
eurjchem-2484	419	2	17	17	NUM
eurjchem-2484	419	3	.	.	PUNCT
eurjchem-2484	420	1	qtaim	qtaim	VERB
eurjchem-2484	420	2	molecular	molecular	ADJ
eurjchem-2484	420	3	graph	graph	NOUN
eurjchem-2484	420	4	of	of	ADP
eurjchem-2484	420	5	the	the	DET
eurjchem-2484	420	6	optimized	optimize	VERB
eurjchem-2484	420	7	4	4	NUM
eurjchem-2484	420	8	-	-	PUNCT
eurjchem-2484	420	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	420	10	complex	complex	NOUN
eurjchem-2484	420	11	showing	show	VERB
eurjchem-2484	420	12	a	a	DET
eurjchem-2484	420	13	graphical	graphical	ADJ
eurjchem-2484	420	14	representation	representation	NOUN
eurjchem-2484	420	15	of	of	ADP
eurjchem-2484	420	16	bond	bond	NOUN
eurjchem-2484	420	17	critical	critical	ADJ
eurjchem-2484	420	18	points	point	NOUN
eurjchem-2484	420	19	(	(	PUNCT
eurjchem-2484	420	20	small	small	ADJ
eurjchem-2484	420	21	orange	orange	PROPN
eurjchem-2484	420	22	spheres	sphere	NOUN
eurjchem-2484	420	23	)	)	PUNCT
eurjchem-2484	420	24	,	,	PUNCT
eurjchem-2484	420	25	ring	re	VERB
eurjchem-2484	420	26	critical	critical	ADJ
eurjchem-2484	420	27	points	point	NOUN
eurjchem-2484	420	28	(	(	PUNCT
eurjchem-2484	420	29	small	small	ADJ
eurjchem-2484	420	30	gray	gray	ADJ
eurjchem-2484	420	31	sphere	sphere	NOUN
eurjchem-2484	420	32	)	)	PUNCT
eurjchem-2484	420	33	,	,	PUNCT
eurjchem-2484	420	34	and	and	CCONJ
eurjchem-2484	420	35	bond	bond	NOUN
eurjchem-2484	420	36	paths	path	NOUN
eurjchem-2484	420	37	(	(	PUNCT
eurjchem-2484	420	38	black	black	ADJ
eurjchem-2484	420	39	lines	line	NOUN
eurjchem-2484	420	40	)	)	PUNCT
eurjchem-2484	420	41	.	.	PUNCT
eurjchem-2484	421	1	the	the	DET
eurjchem-2484	421	2	total	total	ADJ
eurjchem-2484	421	3	energy	energy	NOUN
eurjchem-2484	421	4	of	of	ADP
eurjchem-2484	421	5	hydrogen	hydrogen	NOUN
eurjchem-2484	421	6	bond	bond	NOUN
eurjchem-2484	421	7	interaction	interaction	NOUN
eurjchem-2484	421	8	involved	involve	VERB
eurjchem-2484	421	9	in	in	ADP
eurjchem-2484	421	10	the	the	DET
eurjchem-2484	421	11	formation	formation	NOUN
eurjchem-2484	421	12	of	of	ADP
eurjchem-2484	421	13	the	the	DET
eurjchem-2484	421	14	stable	stable	ADJ
eurjchem-2484	421	15	4	4	NUM
eurjchem-2484	421	16	-	-	PUNCT
eurjchem-2484	421	17	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	421	18	complex	complex	NOUN
eurjchem-2484	421	19	is	be	AUX
eurjchem-2484	421	20	-62.271	-62.271	PROPN
eurjchem-2484	421	21	kcal	kcal	PROPN
eurjchem-2484	421	22	/	/	SYM
eurjchem-2484	421	23	mol	mol	PROPN
eurjchem-2484	421	24	.	.	PUNCT
eurjchem-2484	422	1	according	accord	VERB
eurjchem-2484	422	2	to	to	ADP
eurjchem-2484	422	3	rozas	rozas	PROPN
eurjchem-2484	422	4	et	et	PROPN
eurjchem-2484	422	5	al	al	PROPN
eurjchem-2484	422	6	.	.	PUNCT
eurjchem-2484	423	1	[	[	X
eurjchem-2484	423	2	47	47	NUM
eurjchem-2484	423	3	]	]	PUNCT
eurjchem-2484	423	4	the	the	DET
eurjchem-2484	423	5	interactions	interaction	NOUN
eurjchem-2484	423	6	at	at	ADP
eurjchem-2484	423	7	the	the	DET
eurjchem-2484	423	8	different	different	ADJ
eurjchem-2484	423	9	bcps	bcps	PROPN
eurjchem-2484	423	10	can	can	AUX
eurjchem-2484	423	11	be	be	AUX
eurjchem-2484	423	12	classified	classify	VERB
eurjchem-2484	423	13	as	as	SCONJ
eurjchem-2484	423	14	follows	follow	VERB
eurjchem-2484	423	15	:	:	PUNCT
eurjchem-2484	423	16	for	for	ADP
eurjchem-2484	423	17	strong	strong	ADJ
eurjchem-2484	423	18	hydrogen	hydrogen	NOUN
eurjchem-2484	423	19	bonds	bond	NOUN
eurjchem-2484	423	20	(	(	PUNCT
eurjchem-2484	423	21	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-2484	423	22	<	<	X
eurjchem-2484	423	23	0	0	NUM
eurjchem-2484	423	24	,	,	PUNCT
eurjchem-2484	423	25	hbcp	hbcp	NOUN
eurjchem-2484	423	26	<	<	X
eurjchem-2484	423	27	0	0	NUM
eurjchem-2484	423	28	)	)	PUNCT
eurjchem-2484	423	29	,	,	PUNCT
eurjchem-2484	423	30	for	for	ADP
eurjchem-2484	423	31	medium	medium	ADJ
eurjchem-2484	423	32	hydrogen	hydrogen	NOUN
eurjchem-2484	423	33	bonds	bond	NOUN
eurjchem-2484	423	34	(	(	PUNCT
eurjchem-2484	423	35	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-2484	423	36	>	>	X
eurjchem-2484	423	37	0	0	PROPN
eurjchem-2484	423	38	,	,	PUNCT
eurjchem-2484	423	39	hbcp	hbcp	NOUN
eurjchem-2484	423	40	<	<	X
eurjchem-2484	423	41	0	0	NUM
eurjchem-2484	423	42	)	)	PUNCT
eurjchem-2484	423	43	for	for	ADP
eurjchem-2484	423	44	weak	weak	ADJ
eurjchem-2484	423	45	hydrogen	hydrogen	NOUN
eurjchem-2484	423	46	bonds	bond	NOUN
eurjchem-2484	423	47	(	(	PUNCT
eurjchem-2484	423	48	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-2484	423	49	>	>	X
eurjchem-2484	423	50	0	0	PROPN
eurjchem-2484	423	51	,	,	PUNCT
eurjchem-2484	423	52	hbcp	hbcp	NOUN
eurjchem-2484	423	53	>	>	X
eurjchem-2484	423	54	0	0	NUM
eurjchem-2484	423	55	)	)	PUNCT
eurjchem-2484	423	56	.	.	PUNCT
eurjchem-2484	424	1	from	from	ADP
eurjchem-2484	424	2	table	table	NOUN
eurjchem-2484	424	3	7	7	NUM
eurjchem-2484	424	4	,	,	PUNCT
eurjchem-2484	424	5	it	it	PRON
eurjchem-2484	424	6	is	be	AUX
eurjchem-2484	424	7	seen	see	VERB
eurjchem-2484	424	8	that	that	SCONJ
eurjchem-2484	424	9	for	for	ADP
eurjchem-2484	424	10	4	4	NUM
eurjchem-2484	424	11	-	-	PUNCT
eurjchem-2484	424	12	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	424	13	complex	complex	NOUN
eurjchem-2484	424	14	all	all	DET
eurjchem-2484	424	15	bcp	bcp	NOUN
eurjchem-2484	424	16	fall	fall	VERB
eurjchem-2484	424	17	in	in	ADP
eurjchem-2484	424	18	the	the	DET
eurjchem-2484	424	19	medium	medium	ADJ
eurjchem-2484	424	20	hydrogen	hydrogen	NOUN
eurjchem-2484	424	21	bonds	bond	NOUN
eurjchem-2484	424	22	category	category	NOUN
eurjchem-2484	424	23	as	as	ADP
eurjchem-2484	424	24	∇2ρbcp	∇2ρbcp	PROPN
eurjchem-2484	424	25	>	>	X
eurjchem-2484	424	26	0	0	PROPN
eurjchem-2484	424	27	,	,	PUNCT
eurjchem-2484	424	28	hbcp	hbcp	NOUN
eurjchem-2484	424	29	<	<	X
eurjchem-2484	424	30	0	0	NUM
eurjchem-2484	424	31	in	in	ADP
eurjchem-2484	424	32	all	all	DET
eurjchem-2484	424	33	4	4	NUM
eurjchem-2484	424	34	bcps	bcp	NOUN
eurjchem-2484	424	35	.	.	PROPN
eurjchem-2484	425	1	4	4	X
eurjchem-2484	425	2	.	.	X
eurjchem-2484	425	3	conclusion	conclusion	NOUN
eurjchem-2484	425	4	4	4	NUM
eurjchem-2484	425	5	-	-	PUNCT
eurjchem-2484	425	6	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	425	7	dihydrogen	dihydrogen	NOUN
eurjchem-2484	425	8	phosphate	phosphate	NOUN
eurjchem-2484	425	9	monohydrate	monohydrate	NOUN
eurjchem-2484	425	10	(	(	PUNCT
eurjchem-2484	425	11	4	4	NUM
eurjchem-2484	425	12	-	-	PUNCT
eurjchem-2484	425	13	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	425	14	)	)	PUNCT
eurjchem-2484	425	15	was	be	AUX
eurjchem-2484	425	16	synthesized	synthesize	VERB
eurjchem-2484	425	17	and	and	CCONJ
eurjchem-2484	425	18	investigated	investigate	VERB
eurjchem-2484	425	19	using	use	VERB
eurjchem-2484	425	20	ftir	ftir	PROPN
eurjchem-2484	425	21	spectroscopy	spectroscopy	NOUN
eurjchem-2484	425	22	,	,	PUNCT
eurjchem-2484	425	23	single	single	ADJ
eurjchem-2484	425	24	-	-	PUNCT
eurjchem-2484	425	25	crystal	crystal	NOUN
eurjchem-2484	425	26	xrd	xrd	NOUN
eurjchem-2484	425	27	,	,	PUNCT
eurjchem-2484	425	28	differential	differential	NOUN
eurjchem-2484	425	29	,	,	PUNCT
eurjchem-2484	425	30	scanning	scan	VERB
eurjchem-2484	425	31	calorimetry	calorimetry	NOUN
eurjchem-2484	425	32	and	and	CCONJ
eurjchem-2484	425	33	computational	computational	ADJ
eurjchem-2484	425	34	analysis	analysis	NOUN
eurjchem-2484	425	35	done	do	VERB
eurjchem-2484	425	36	using	use	VERB
eurjchem-2484	425	37	gaussian	gaussian	NOUN
eurjchem-2484	425	38	09w	09w	NOUN
eurjchem-2484	425	39	,	,	PUNCT
eurjchem-2484	425	40	crystalexplorer	crystalexplorer	X
eurjchem-2484	425	41	21	21	NUM
eurjchem-2484	425	42	,	,	PUNCT
eurjchem-2484	425	43	and	and	CCONJ
eurjchem-2484	425	44	multiwfn	multiwfn	NOUN
eurjchem-2484	425	45	3.7	3.7	NUM
eurjchem-2484	425	46	software	software	NOUN
eurjchem-2484	425	47	.	.	PUNCT
eurjchem-2484	426	1	the	the	DET
eurjchem-2484	426	2	crystal	crystal	NOUN
eurjchem-2484	426	3	structure	structure	NOUN
eurjchem-2484	426	4	obtained	obtain	VERB
eurjchem-2484	426	5	belongs	belong	VERB
eurjchem-2484	426	6	to	to	ADP
eurjchem-2484	426	7	the	the	DET
eurjchem-2484	426	8	triclinic	triclinic	ADJ
eurjchem-2484	426	9	space	space	NOUN
eurjchem-2484	426	10	group	group	NOUN
eurjchem-2484	426	11	p-1	p-1	NOUN
eurjchem-2484	426	12	,	,	PUNCT
eurjchem-2484	426	13	with	with	ADP
eurjchem-2484	426	14	two	two	NUM
eurjchem-2484	426	15	4	4	NUM
eurjchem-2484	426	16	-	-	PUNCT
eurjchem-2484	426	17	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	426	18	cations	cation	NOUN
eurjchem-2484	426	19	,	,	PUNCT
eurjchem-2484	426	20	two	two	NUM
eurjchem-2484	426	21	dihydrogen	dihydrogen	NOUN
eurjchem-2484	426	22	phosphate	phosphate	NOUN
eurjchem-2484	426	23	(	(	PUNCT
eurjchem-2484	426	24	h2po4	h2po4	NOUN
eurjchem-2484	426	25	–	–	PUNCT
eurjchem-2484	426	26	)	)	PUNCT
eurjchem-2484	426	27	anions	anion	NOUN
eurjchem-2484	426	28	,	,	PUNCT
eurjchem-2484	426	29	and	and	CCONJ
eurjchem-2484	426	30	two	two	NUM
eurjchem-2484	426	31	water	water	NOUN
eurjchem-2484	426	32	molecules	molecule	NOUN
eurjchem-2484	426	33	in	in	ADP
eurjchem-2484	426	34	an	an	DET
eurjchem-2484	426	35	asymmetric	asymmetric	ADJ
eurjchem-2484	426	36	unit	unit	NOUN
eurjchem-2484	426	37	.	.	PUNCT
eurjchem-2484	427	1	the	the	DET
eurjchem-2484	427	2	h2po4	h2po4	NOUN
eurjchem-2484	427	3	–	–	PUNCT
eurjchem-2484	427	4	anion	anion	NOUN
eurjchem-2484	427	5	in	in	ADP
eurjchem-2484	427	6	the	the	DET
eurjchem-2484	427	7	inorganic	inorganic	ADJ
eurjchem-2484	427	8	layer	layer	NOUN
eurjchem-2484	427	9	is	be	AUX
eurjchem-2484	427	10	linked	link	VERB
eurjchem-2484	427	11	and	and	CCONJ
eurjchem-2484	427	12	forms	form	VERB
eurjchem-2484	427	13	a	a	DET
eurjchem-2484	427	14	long	long	ADJ
eurjchem-2484	427	15	chain	chain	NOUN
eurjchem-2484	427	16	by	by	ADP
eurjchem-2484	427	17	hydrogen	hydrogen	NOUN
eurjchem-2484	427	18	bond	bond	NOUN
eurjchem-2484	427	19	interaction	interaction	NOUN
eurjchem-2484	427	20	between	between	ADP
eurjchem-2484	427	21	p	p	NOUN
eurjchem-2484	427	22	-	-	PUNCT
eurjchem-2484	427	23	oh	oh	NOUN
eurjchem-2484	427	24	and	and	CCONJ
eurjchem-2484	427	25	-p	-p	PROPN
eurjchem-2484	427	26	=	=	NOUN
eurjchem-2484	427	27	o	o	NOUN
eurjchem-2484	427	28	groups	group	NOUN
eurjchem-2484	427	29	of	of	ADP
eurjchem-2484	427	30	the	the	DET
eurjchem-2484	427	31	adjacent	adjacent	ADJ
eurjchem-2484	427	32	h2po4	h2po4	NOUN
eurjchem-2484	427	33	-	-	PUNCT
eurjchem-2484	427	34	1	1	NUM
eurjchem-2484	427	35	anions	anion	NOUN
eurjchem-2484	427	36	in	in	ADP
eurjchem-2484	427	37	the	the	DET
eurjchem-2484	427	38	same	same	ADJ
eurjchem-2484	427	39	layer	layer	NOUN
eurjchem-2484	427	40	.	.	PUNCT
eurjchem-2484	428	1	the	the	DET
eurjchem-2484	428	2	phosphate	phosphate	ADJ
eurjchem-2484	428	3	layers	layer	NOUN
eurjchem-2484	428	4	are	be	AUX
eurjchem-2484	428	5	interconnected	interconnect	VERB
eurjchem-2484	428	6	by	by	ADP
eurjchem-2484	428	7	the	the	DET
eurjchem-2484	428	8	4	4	NUM
eurjchem-2484	428	9	-	-	PUNCT
eurjchem-2484	428	10	ca	ca	NOUN
eurjchem-2484	428	11	cations	cation	NOUN
eurjchem-2484	428	12	of	of	ADP
eurjchem-2484	428	13	the	the	DET
eurjchem-2484	428	14	organic	organic	ADJ
eurjchem-2484	428	15	layers	layer	NOUN
eurjchem-2484	428	16	by	by	ADP
eurjchem-2484	428	17	strong	strong	ADJ
eurjchem-2484	428	18	ionic	ionic	ADJ
eurjchem-2484	428	19	and	and	CCONJ
eurjchem-2484	428	20	hydrogen	hydrogen	NOUN
eurjchem-2484	428	21	-	-	PUNCT
eurjchem-2484	428	22	bond	bond	NOUN
eurjchem-2484	428	23	interactions	interaction	NOUN
eurjchem-2484	428	24	.	.	PUNCT
eurjchem-2484	429	1	the	the	DET
eurjchem-2484	429	2	interesting	interesting	ADJ
eurjchem-2484	429	3	observation	observation	NOUN
eurjchem-2484	429	4	is	be	AUX
eurjchem-2484	429	5	that	that	SCONJ
eurjchem-2484	429	6	there	there	PRON
eurjchem-2484	429	7	is	be	VERB
eurjchem-2484	429	8	no	no	DET
eurjchem-2484	429	9	hydrogen	hydrogen	NOUN
eurjchem-2484	429	10	bond	bond	NOUN
eurjchem-2484	429	11	interaction	interaction	NOUN
eurjchem-2484	429	12	between	between	ADP
eurjchem-2484	429	13	neighboring	neighbor	VERB
eurjchem-2484	429	14	4	4	NUM
eurjchem-2484	429	15	-	-	PUNCT
eurjchem-2484	429	16	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	429	17	cations	cation	NOUN
eurjchem-2484	429	18	within	within	ADP
eurjchem-2484	429	19	the	the	DET
eurjchem-2484	429	20	organic	organic	ADJ
eurjchem-2484	429	21	layer	layer	NOUN
eurjchem-2484	429	22	.	.	PUNCT
eurjchem-2484	430	1	the	the	DET
eurjchem-2484	430	2	4	4	NUM
eurjchem-2484	430	3	-	-	PUNCT
eurjchem-2484	430	4	ca	ca	NOUN
eurjchem-2484	430	5	-	-	PUNCT
eurjchem-2484	430	6	cations	cation	NOUN
eurjchem-2484	430	7	are	be	AUX
eurjchem-2484	430	8	connected	connect	VERB
eurjchem-2484	430	9	through	through	ADP
eurjchem-2484	430	10	a	a	DET
eurjchem-2484	430	11	three	three	NUM
eurjchem-2484	430	12	-	-	PUNCT
eurjchem-2484	430	13	dimensional	dimensional	ADJ
eurjchem-2484	430	14	network	network	NOUN
eurjchem-2484	430	15	of	of	ADP
eurjchem-2484	430	16	strong	strong	ADJ
eurjchem-2484	430	17	charge	charge	NOUN
eurjchem-2484	430	18	-	-	PUNCT
eurjchem-2484	430	19	assisted	assist	VERB
eurjchem-2484	430	20	n	n	CCONJ
eurjchem-2484	430	21	-	-	PUNCT
eurjchem-2484	430	22	h···o	h···o	PROPN
eurjchem-2484	430	23	and	and	CCONJ
eurjchem-2484	430	24	c	c	NOUN
eurjchem-2484	430	25	-	-	PUNCT
eurjchem-2484	430	26	oh···o	oh···o	NOUN
eurjchem-2484	430	27	hydrogen	hydrogen	NOUN
eurjchem-2484	430	28	bonds	bond	NOUN
eurjchem-2484	430	29	with	with	ADP
eurjchem-2484	430	30	h2po4and	h2po4and	NOUN
eurjchem-2484	430	31	water	water	NOUN
eurjchem-2484	430	32	molecules	molecule	NOUN
eurjchem-2484	430	33	.	.	PUNCT
eurjchem-2484	431	1	such	such	DET
eurjchem-2484	431	2	an	an	DET
eurjchem-2484	431	3	extensive	extensive	ADJ
eurjchem-2484	431	4	three	three	NUM
eurjchem-2484	431	5	-	-	PUNCT
eurjchem-2484	431	6	dimensional	dimensional	ADJ
eurjchem-2484	431	7	hydrogen	hydrogen	NOUN
eurjchem-2484	431	8	-	-	PUNCT
eurjchem-2484	431	9	bonding	bonding	NOUN
eurjchem-2484	431	10	framework	framework	NOUN
eurjchem-2484	431	11	stabilizes	stabilize	VERB
eurjchem-2484	431	12	the	the	DET
eurjchem-2484	431	13	crystal	crystal	NOUN
eurjchem-2484	431	14	structure	structure	NOUN
eurjchem-2484	431	15	.	.	PUNCT
eurjchem-2484	432	1	most	most	ADJ
eurjchem-2484	432	2	of	of	ADP
eurjchem-2484	432	3	the	the	DET
eurjchem-2484	432	4	vibrational	vibrational	ADJ
eurjchem-2484	432	5	bands	band	NOUN
eurjchem-2484	432	6	of	of	ADP
eurjchem-2484	432	7	4	4	NUM
eurjchem-2484	432	8	-	-	PUNCT
eurjchem-2484	432	9	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	432	10	could	could	AUX
eurjchem-2484	432	11	be	be	AUX
eurjchem-2484	432	12	assigned	assign	VERB
eurjchem-2484	432	13	based	base	VERB
eurjchem-2484	432	14	on	on	ADP
eurjchem-2484	432	15	the	the	DET
eurjchem-2484	432	16	known	know	VERB
eurjchem-2484	432	17	ir	ir	PROPN
eurjchem-2484	432	18	assignments	assignment	NOUN
eurjchem-2484	432	19	of	of	ADP
eurjchem-2484	432	20	the	the	DET
eurjchem-2484	432	21	parent	parent	NOUN
eurjchem-2484	432	22	compounds	compound	NOUN
eurjchem-2484	432	23	(	(	PUNCT
eurjchem-2484	432	24	4	4	NUM
eurjchem-2484	432	25	-	-	NUM
eurjchem-2484	432	26	aba	aba	NOUN
eurjchem-2484	432	27	,	,	PUNCT
eurjchem-2484	432	28	d4	d4	PROPN
eurjchem-2484	432	29	-	-	PUNCT
eurjchem-2484	432	30	aba	aba	PROPN
eurjchem-2484	432	31	,	,	PUNCT
eurjchem-2484	432	32	and	and	CCONJ
eurjchem-2484	432	33	h2po4	h2po4	NOUN
eurjchem-2484	432	34	)	)	PUNCT
eurjchem-2484	432	35	and	and	CCONJ
eurjchem-2484	432	36	also	also	ADV
eurjchem-2484	432	37	by	by	ADP
eurjchem-2484	432	38	comparing	compare	VERB
eurjchem-2484	432	39	with	with	ADP
eurjchem-2484	432	40	the	the	DET
eurjchem-2484	432	41	spectra	spectra	NOUN
eurjchem-2484	432	42	of	of	ADP
eurjchem-2484	432	43	deuterated	deuterate	VERB
eurjchem-2484	432	44	4	4	NUM
eurjchem-2484	432	45	-	-	PUNCT
eurjchem-2484	432	46	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	432	47	.	.	PUNCT
eurjchem-2484	433	1	the	the	DET
eurjchem-2484	433	2	fingerprint	fingerprint	NOUN
eurjchem-2484	433	3	plot	plot	NOUN
eurjchem-2484	433	4	of	of	ADP
eurjchem-2484	433	5	4	4	NUM
eurjchem-2484	433	6	-	-	PUNCT
eurjchem-2484	433	7	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	433	8	obtained	obtain	VERB
eurjchem-2484	433	9	using	use	VERB
eurjchem-2484	433	10	hirshfeld	hirshfeld	PROPN
eurjchem-2484	433	11	surface	surface	NOUN
eurjchem-2484	433	12	analysis	analysis	NOUN
eurjchem-2484	433	13	indicated	indicate	VERB
eurjchem-2484	433	14	that	that	SCONJ
eurjchem-2484	433	15	the	the	DET
eurjchem-2484	433	16	short	short	ADJ
eurjchem-2484	433	17	o···h	o···h	NOUN
eurjchem-2484	433	18	contacts	contact	NOUN
eurjchem-2484	433	19	were	be	AUX
eurjchem-2484	433	20	the	the	DET
eurjchem-2484	433	21	most	most	ADV
eurjchem-2484	433	22	prominent	prominent	ADJ
eurjchem-2484	433	23	interaction	interaction	NOUN
eurjchem-2484	433	24	(	(	PUNCT
eurjchem-2484	433	25	41.1	41.1	NUM
eurjchem-2484	433	26	%	%	NOUN
eurjchem-2484	433	27	)	)	PUNCT
eurjchem-2484	433	28	and	and	CCONJ
eurjchem-2484	433	29	this	this	PRON
eurjchem-2484	433	30	was	be	AUX
eurjchem-2484	433	31	followed	follow	VERB
eurjchem-2484	433	32	by	by	ADP
eurjchem-2484	433	33	h···h	h···h	PROPN
eurjchem-2484	433	34	(	(	PUNCT
eurjchem-2484	433	35	28.4	28.4	NUM
eurjchem-2484	433	36	%	%	NOUN
eurjchem-2484	433	37	)	)	PUNCT
eurjchem-2484	433	38	and	and	CCONJ
eurjchem-2484	433	39	h···c	h···c	PROPN
eurjchem-2484	433	40	(	(	PUNCT
eurjchem-2484	433	41	18	18	NUM
eurjchem-2484	433	42	%	%	NOUN
eurjchem-2484	433	43	)	)	PUNCT
eurjchem-2484	433	44	contacts	contact	NOUN
eurjchem-2484	433	45	.	.	PUNCT
eurjchem-2484	434	1	the	the	DET
eurjchem-2484	434	2	3d	3d	PROPN
eurjchem-2484	434	3	topology	topology	NOUN
eurjchem-2484	434	4	of	of	ADP
eurjchem-2484	434	5	the	the	DET
eurjchem-2484	434	6	strong	strong	ADJ
eurjchem-2484	434	7	charge	charge	NOUN
eurjchem-2484	434	8	-	-	PUNCT
eurjchem-2484	434	9	assisted	assist	VERB
eurjchem-2484	434	10	hydrogen	hydrogen	NOUN
eurjchem-2484	434	11	bonds	bond	NOUN
eurjchem-2484	434	12	in	in	ADP
eurjchem-2484	434	13	4	4	NUM
eurjchem-2484	434	14	-	-	PUNCT
eurjchem-2484	434	15	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	434	16	was	be	AUX
eurjchem-2484	434	17	obtained	obtain	VERB
eurjchem-2484	434	18	by	by	ADP
eurjchem-2484	434	19	plotting	plot	VERB
eurjchem-2484	434	20	energy	energy	NOUN
eurjchem-2484	434	21	framework	framework	NOUN
eurjchem-2484	434	22	using	use	VERB
eurjchem-2484	434	23	crystalexplorer	crystalexplorer	X
eurjchem-2484	434	24	21	21	NUM
eurjchem-2484	434	25	.	.	PUNCT
eurjchem-2484	435	1	high	high	ADJ
eurjchem-2484	435	2	values	value	NOUN
eurjchem-2484	435	3	of	of	ADP
eurjchem-2484	435	4	interaction	interaction	NOUN
eurjchem-2484	435	5	energies	energy	NOUN
eurjchem-2484	435	6	ranging	range	VERB
eurjchem-2484	435	7	from	from	ADP
eurjchem-2484	435	8	-200	-200	PRON
eurjchem-2484	435	9	to	to	ADP
eurjchem-2484	435	10	-800	-800	PROPN
eurjchem-2484	435	11	kj	kj	PROPN
eurjchem-2484	435	12	/	/	PROPN
eurjchem-2484	435	13	mol	mol	PROPN
eurjchem-2484	435	14	were	be	AUX
eurjchem-2484	435	15	obtained	obtain	VERB
eurjchem-2484	435	16	.	.	PUNCT
eurjchem-2484	436	1	quantum	quantum	PROPN
eurjchem-2484	436	2	chemical	chemical	NOUN
eurjchem-2484	436	3	calculations	calculation	NOUN
eurjchem-2484	436	4	were	be	AUX
eurjchem-2484	436	5	performed	perform	VERB
eurjchem-2484	436	6	in	in	ADP
eurjchem-2484	436	7	the	the	DET
eurjchem-2484	436	8	gas	gas	NOUN
eurjchem-2484	436	9	phase	phase	NOUN
eurjchem-2484	436	10	using	use	VERB
eurjchem-2484	436	11	dft	dft	NOUN
eurjchem-2484	436	12	with	with	ADP
eurjchem-2484	436	13	a	a	DET
eurjchem-2484	436	14	hybrid	hybrid	ADJ
eurjchem-2484	436	15	function	function	NOUN
eurjchem-2484	436	16	b3lyp	b3lyp	NOUN
eurjchem-2484	436	17	at	at	ADP
eurjchem-2484	436	18	6	6	NUM
eurjchem-2484	436	19	-	-	SYM
eurjchem-2484	436	20	31	31	NUM
eurjchem-2484	436	21	g	g	NOUN
eurjchem-2484	436	22	basis	basis	NOUN
eurjchem-2484	436	23	set	set	NOUN
eurjchem-2484	436	24	.	.	PUNCT
eurjchem-2484	437	1	the	the	DET
eurjchem-2484	437	2	calculated	calculate	VERB
eurjchem-2484	437	3	ir	ir	PROPN
eurjchem-2484	437	4	spectra	spectra	NOUN
eurjchem-2484	437	5	of	of	ADP
eurjchem-2484	437	6	the	the	DET
eurjchem-2484	437	7	dft	dft	PROPN
eurjchem-2484	437	8	optimized	optimize	VERB
eurjchem-2484	437	9	4	4	NUM
eurjchem-2484	437	10	-	-	PUNCT
eurjchem-2484	437	11	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	437	12	complex	complex	NOUN
eurjchem-2484	437	13	were	be	AUX
eurjchem-2484	437	14	similar	similar	ADJ
eurjchem-2484	437	15	to	to	ADP
eurjchem-2484	437	16	its	its	PRON
eurjchem-2484	437	17	experimentally	experimentally	ADV
eurjchem-2484	437	18	obtained	obtain	VERB
eurjchem-2484	437	19	spectra	spectra	NOUN
eurjchem-2484	437	20	.	.	PUNCT
eurjchem-2484	438	1	nci	nci	PROPN
eurjchem-2484	438	2	analysis	analysis	NOUN
eurjchem-2484	438	3	indicated	indicate	VERB
eurjchem-2484	438	4	that	that	SCONJ
eurjchem-2484	438	5	the	the	DET
eurjchem-2484	438	6	4	4	NUM
eurjchem-2484	438	7	-	-	PUNCT
eurjchem-2484	438	8	cah2po4.h2o	cah2po4.h2o	NOUN
eurjchem-2484	438	9	complex	complex	NOUN
eurjchem-2484	438	10	has	have	VERB
eurjchem-2484	438	11	steric	steric	ADJ
eurjchem-2484	438	12	,	,	PUNCT
eurjchem-2484	438	13	van	van	PROPN
eurjchem-2484	438	14	der	der	NOUN
eurjchem-2484	438	15	waals	waal	NOUN
eurjchem-2484	438	16	,	,	PUNCT
eurjchem-2484	438	17	and	and	CCONJ
eurjchem-2484	438	18	hydrogen	hydrogen	NOUN
eurjchem-2484	438	19	bond	bond	NOUN
eurjchem-2484	438	20	interactions	interaction	NOUN
eurjchem-2484	438	21	.	.	PUNCT
eurjchem-2484	439	1	the	the	DET
eurjchem-2484	439	2	hydrogen	hydrogen	NOUN
eurjchem-2484	439	3	bonds	bond	NOUN
eurjchem-2484	439	4	n	n	CCONJ
eurjchem-2484	439	5	-	-	PUNCT
eurjchem-2484	439	6	h···o	h···o	NOUN
eurjchem-2484	439	7	(	(	PUNCT
eurjchem-2484	439	8	between	between	ADP
eurjchem-2484	439	9	nh3	nh3	NOUN
eurjchem-2484	439	10	+	+	NOUN
eurjchem-2484	439	11	and	and	CCONJ
eurjchem-2484	439	12	water	water	NOUN
eurjchem-2484	439	13	)	)	PUNCT
eurjchem-2484	439	14	,	,	PUNCT
eurjchem-2484	439	15	and	and	CCONJ
eurjchem-2484	439	16	o···h	o···h	PROPN
eurjchem-2484	439	17	-	-	PUNCT
eurjchem-2484	439	18	o	o	NOUN
eurjchem-2484	439	19	(	(	PUNCT
eurjchem-2484	439	20	between	between	ADP
eurjchem-2484	439	21	h2po4	h2po4	NOUN
eurjchem-2484	439	22	–	–	PUNCT
eurjchem-2484	439	23	and	and	CCONJ
eurjchem-2484	439	24	water	water	NOUN
eurjchem-2484	439	25	)	)	PUNCT
eurjchem-2484	439	26	were	be	AUX
eurjchem-2484	439	27	strong	strong	ADJ
eurjchem-2484	439	28	as	as	SCONJ
eurjchem-2484	439	29	indicated	indicate	VERB
eurjchem-2484	439	30	by	by	ADP
eurjchem-2484	439	31	the	the	DET
eurjchem-2484	439	32	presence	presence	NOUN
eurjchem-2484	439	33	of	of	ADP
eurjchem-2484	439	34	blue	blue	ADJ
eurjchem-2484	439	35	rdg	rdg	NOUN
eurjchem-2484	439	36	iso	iso	NOUN
eurjchem-2484	439	37	-	-	PUNCT
eurjchem-2484	439	38	surfaces	surface	NOUN
eurjchem-2484	439	39	.	.	PUNCT
eurjchem-2484	440	1	from	from	ADP
eurjchem-2484	440	2	the	the	DET
eurjchem-2484	440	3	qtaim	qtaim	NOUN
eurjchem-2484	440	4	analysis	analysis	NOUN
eurjchem-2484	440	5	of	of	ADP
eurjchem-2484	440	6	4	4	NUM
eurjchem-2484	440	7	-	-	PUNCT
eurjchem-2484	440	8	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	440	9	complex	complex	NOUN
eurjchem-2484	440	10	,	,	PUNCT
eurjchem-2484	440	11	four	four	NUM
eurjchem-2484	440	12	intermolecular	intermolecular	ADJ
eurjchem-2484	440	13	hydrogen	hydrogen	NOUN
eurjchem-2484	440	14	bonds	bond	NOUN
eurjchem-2484	440	15	were	be	AUX
eurjchem-2484	440	16	located	locate	VERB
eurjchem-2484	440	17	.	.	PUNCT
eurjchem-2484	441	1	the	the	DET
eurjchem-2484	441	2	hydrogen	hydrogen	NOUN
eurjchem-2484	441	3	bond	bond	NOUN
eurjchem-2484	441	4	:	:	PUNCT
eurjchem-2484	441	5	n	n	CCONJ
eurjchem-2484	441	6	-	-	PUNCT
eurjchem-2484	441	7	h···o(-nh3+···h2po4	h···o(-nh3+···h2po4	NOUN
eurjchem-2484	441	8	–	–	PUNCT
eurjchem-2484	441	9	)	)	PUNCT
eurjchem-2484	441	10	>	>	PUNCT
eurjchem-2484	441	11	n	n	CCONJ
eurjchem-2484	441	12	-	-	PUNCT
eurjchem-2484	441	13	h···o(nh3+···water	h···o(nh3+···water	NOUN
eurjchem-2484	441	14	)	)	PUNCT
eurjchem-2484	441	15	>	>	X
eurjchem-2484	442	1	o	o	X
eurjchem-2484	442	2	-	-	PUNCT
eurjchem-2484	442	3	h···o(water···h2po4	h···o(water···h2po4	PROPN
eurjchem-2484	442	4	–	–	PUNCT
eurjchem-2484	442	5	)	)	PUNCT
eurjchem-2484	442	6	>	>	PUNCT
eurjchem-2484	442	7	n	n	CCONJ
eurjchem-2484	442	8	-	-	PUNCT
eurjchem-2484	442	9	h···o(lata	h···o(lata	PROPN
eurjchem-2484	442	10	panicker	panicker	NOUN
eurjchem-2484	442	11	/	/	SYM
eurjchem-2484	442	12	european	european	PROPN
eurjchem-2484	442	13	journal	journal	PROPN
eurjchem-2484	442	14	of	of	ADP
eurjchem-2484	442	15	chemistry	chemistry	NOUN
eurjchem-2484	442	16	15	15	NUM
eurjchem-2484	442	17	(	(	PUNCT
eurjchem-2484	442	18	1	1	NUM
eurjchem-2484	442	19	)	)	PUNCT
eurjchem-2484	442	20	(	(	PUNCT
eurjchem-2484	442	21	2024	2024	NUM
eurjchem-2484	442	22	)	)	PUNCT
eurjchem-2484	442	23	1	1	NUM
eurjchem-2484	442	24	-	-	SYM
eurjchem-2484	442	25	16	16	NUM
eurjchem-2484	442	26	15	15	NUM
eurjchem-2484	442	27	2024	2024	NUM
eurjchem-2484	442	28	–	–	PUNCT
eurjchem-2484	442	29	european	european	ADJ
eurjchem-2484	442	30	journal	journal	NOUN
eurjchem-2484	442	31	of	of	ADP
eurjchem-2484	442	32	chemistry	chemistry	NOUN
eurjchem-2484	442	33	–	–	PUNCT
eurjchem-2484	442	34	cc	cc	NOUN
eurjchem-2484	442	35	by	by	ADP
eurjchem-2484	442	36	nc	nc	PROPN
eurjchem-2484	442	37	–	–	PUNCT
eurjchem-2484	442	38	doi	doi	PROPN
eurjchem-2484	442	39	:	:	PUNCT
eurjchem-2484	442	40	10.5155	10.5155	NUM
eurjchem-2484	442	41	/	/	SYM
eurjchem-2484	442	42	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	442	43	-	-	SYM
eurjchem-2484	442	44	16.2484	16.2484	NUM
eurjchem-2484	442	45	nh3+···h2po4	nh3+···h2po4	NUM
eurjchem-2484	442	46	–	–	PUNCT
eurjchem-2484	442	47	)	)	PUNCT
eurjchem-2484	442	48	energies	energy	NOUN
eurjchem-2484	442	49	were	be	AUX
eurjchem-2484	442	50	calculated	calculate	VERB
eurjchem-2484	442	51	to	to	PART
eurjchem-2484	442	52	be	be	AUX
eurjchem-2484	442	53	-21.92024	-21.92024	NUM
eurjchem-2484	442	54	,	,	PUNCT
eurjchem-2484	442	55	-17.95912	-17.95912	PUNCT
eurjchem-2484	442	56	-12.90466	-12.90466	PUNCT
eurjchem-2484	442	57	and	and	CCONJ
eurjchem-2484	442	58	-9.48739	-9.48739	NOUN
eurjchem-2484	442	59	kcal	kcal	PROPN
eurjchem-2484	442	60	/	/	SYM
eurjchem-2484	442	61	mol	mol	PROPN
eurjchem-2484	442	62	,	,	PUNCT
eurjchem-2484	442	63	respectively	respectively	ADV
eurjchem-2484	442	64	,	,	PUNCT
eurjchem-2484	442	65	and	and	CCONJ
eurjchem-2484	442	66	which	which	PRON
eurjchem-2484	442	67	according	accord	VERB
eurjchem-2484	442	68	to	to	ADP
eurjchem-2484	442	69	rozas	rozas	PROPN
eurjchem-2484	442	70	et	et	PROPN
eurjchem-2484	442	71	al	al	PROPN
eurjchem-2484	442	72	.	.	PUNCT
eurjchem-2484	443	1	[	[	X
eurjchem-2484	443	2	47	47	NUM
eurjchem-2484	443	3	]	]	X
eurjchem-2484	443	4	fall	fall	NOUN
eurjchem-2484	443	5	in	in	ADP
eurjchem-2484	443	6	the	the	DET
eurjchem-2484	443	7	medium	medium	ADJ
eurjchem-2484	443	8	hydrogen	hydrogen	NOUN
eurjchem-2484	443	9	bonds	bond	NOUN
eurjchem-2484	443	10	category	category	NOUN
eurjchem-2484	443	11	.	.	PUNCT
eurjchem-2484	444	1	thus	thus	ADV
eurjchem-2484	444	2	,	,	PUNCT
eurjchem-2484	444	3	the	the	DET
eurjchem-2484	444	4	thermal	thermal	ADJ
eurjchem-2484	444	5	,	,	PUNCT
eurjchem-2484	444	6	vibrational	vibrational	NOUN
eurjchem-2484	444	7	,	,	PUNCT
eurjchem-2484	444	8	and	and	CCONJ
eurjchem-2484	444	9	computational	computational	ADJ
eurjchem-2484	444	10	results	result	NOUN
eurjchem-2484	444	11	corroborate	corroborate	VERB
eurjchem-2484	444	12	well	well	ADV
eurjchem-2484	444	13	with	with	ADP
eurjchem-2484	444	14	the	the	DET
eurjchem-2484	444	15	structural	structural	ADJ
eurjchem-2484	444	16	data	datum	NOUN
eurjchem-2484	444	17	of	of	ADP
eurjchem-2484	444	18	4	4	NUM
eurjchem-2484	444	19	-	-	PUNCT
eurjchem-2484	444	20	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	444	21	complex	complex	NOUN
eurjchem-2484	444	22	.	.	PUNCT
eurjchem-2484	445	1	4	4	NUM
eurjchem-2484	445	2	-	-	PUNCT
eurjchem-2484	445	3	cah2po4·h2o	cah2po4·h2o	NOUN
eurjchem-2484	445	4	complex	complex	ADJ
eurjchem-2484	445	5	structure	structure	NOUN
eurjchem-2484	445	6	and	and	CCONJ
eurjchem-2484	445	7	its	its	PRON
eurjchem-2484	445	8	computational	computational	ADJ
eurjchem-2484	445	9	analysis	analysis	NOUN
eurjchem-2484	445	10	are	be	AUX
eurjchem-2484	445	11	also	also	ADV
eurjchem-2484	445	12	compared	compare	VERB
eurjchem-2484	445	13	with	with	ADP
eurjchem-2484	445	14	that	that	PRON
eurjchem-2484	445	15	of	of	ADP
eurjchem-2484	445	16	4	4	NUM
eurjchem-2484	445	17	-	-	PUNCT
eurjchem-2484	445	18	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	445	19	dihydrogen	dihydrogen	NOUN
eurjchem-2484	445	20	phosphate	phosphate	NOUN
eurjchem-2484	445	21	(	(	PUNCT
eurjchem-2484	445	22	4	4	NUM
eurjchem-2484	445	23	-	-	PUNCT
eurjchem-2484	445	24	cah2po4	cah2po4	NOUN
eurjchem-2484	445	25	)	)	PUNCT
eurjchem-2484	445	26	.	.	PUNCT
eurjchem-2484	446	1	acknowledgements	acknowledgement	VERB
eurjchem-2484	446	2	the	the	DET
eurjchem-2484	446	3	authors	author	NOUN
eurjchem-2484	446	4	thank	thank	VERB
eurjchem-2484	446	5	the	the	DET
eurjchem-2484	446	6	heavy	heavy	PROPN
eurjchem-2484	446	7	water	water	NOUN
eurjchem-2484	446	8	board	board	NOUN
eurjchem-2484	446	9	,	,	PUNCT
eurjchem-2484	446	10	bhabha	bhabha	PROPN
eurjchem-2484	446	11	atomic	atomic	PROPN
eurjchem-2484	446	12	research	research	PROPN
eurjchem-2484	446	13	center	center	PROPN
eurjchem-2484	446	14	,	,	PUNCT
eurjchem-2484	446	15	trombay	trombay	PROPN
eurjchem-2484	446	16	,	,	PUNCT
eurjchem-2484	446	17	mumbai	mumbai	PROPN
eurjchem-2484	446	18	400085	400085	NUM
eurjchem-2484	446	19	,	,	PUNCT
eurjchem-2484	446	20	india	india	PROPN
eurjchem-2484	446	21	,	,	PUNCT
eurjchem-2484	446	22	for	for	ADP
eurjchem-2484	446	23	supply	supply	NOUN
eurjchem-2484	446	24	of	of	ADP
eurjchem-2484	446	25	d2o	d2o	PROPN
eurjchem-2484	446	26	(	(	PUNCT
eurjchem-2484	446	27	99.4	99.4	NUM
eurjchem-2484	446	28	%	%	NOUN
eurjchem-2484	446	29	isotopic	isotopic	ADJ
eurjchem-2484	446	30	purity	purity	NOUN
eurjchem-2484	446	31	)	)	PUNCT
eurjchem-2484	446	32	.	.	PUNCT
eurjchem-2484	447	1	supporting	support	VERB
eurjchem-2484	447	2	information	information	NOUN
eurjchem-2484	447	3	ccdc-2288228	ccdc-2288228	PROPN
eurjchem-2484	447	4	contains	contain	VERB
eurjchem-2484	447	5	the	the	DET
eurjchem-2484	447	6	supplementary	supplementary	ADJ
eurjchem-2484	447	7	crystallographic	crystallographic	ADJ
eurjchem-2484	447	8	data	datum	NOUN
eurjchem-2484	447	9	for	for	ADP
eurjchem-2484	447	10	this	this	DET
eurjchem-2484	447	11	article	article	NOUN
eurjchem-2484	447	12	(	(	PUNCT
eurjchem-2484	447	13	4	4	NUM
eurjchem-2484	447	14	-	-	PUNCT
eurjchem-2484	447	15	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	447	16	dihydrogen	dihydrogen	NOUN
eurjchem-2484	447	17	phosphate	phosphate	NOUN
eurjchem-2484	447	18	monohydrate	monohydrate	NOUN
eurjchem-2484	447	19	(	(	PUNCT
eurjchem-2484	447	20	4cah2po4·h2o	4cah2po4·h2o	NUM
eurjchem-2484	447	21	)	)	PUNCT
eurjchem-2484	447	22	)	)	PUNCT
eurjchem-2484	447	23	.	.	PUNCT
eurjchem-2484	448	1	these	these	DET
eurjchem-2484	448	2	data	datum	NOUN
eurjchem-2484	448	3	can	can	AUX
eurjchem-2484	448	4	be	be	AUX
eurjchem-2484	448	5	obtained	obtain	VERB
eurjchem-2484	448	6	free	free	ADJ
eurjchem-2484	448	7	of	of	ADP
eurjchem-2484	448	8	charge	charge	NOUN
eurjchem-2484	448	9	via	via	ADP
eurjchem-2484	448	10	www.ccdc.cam	www.ccdc.cam	PROPN
eurjchem-2484	448	11	.ac.uk	.ac.uk	PROPN
eurjchem-2484	448	12	/	/	SYM
eurjchem-2484	448	13	data_request	data_requ	ADJ
eurjchem-2484	448	14	/	/	SYM
eurjchem-2484	448	15	cif	cif	PROPN
eurjchem-2484	448	16	,	,	PUNCT
eurjchem-2484	448	17	or	or	CCONJ
eurjchem-2484	448	18	by	by	ADP
eurjchem-2484	448	19	emailing	email	VERB
eurjchem-2484	448	20	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2484	448	21	,	,	PUNCT
eurjchem-2484	448	22	or	or	CCONJ
eurjchem-2484	448	23	by	by	ADP
eurjchem-2484	448	24	contacting	contact	VERB
eurjchem-2484	448	25	the	the	DET
eurjchem-2484	448	26	cambridge	cambridge	PROPN
eurjchem-2484	448	27	crystallographic	crystallographic	PROPN
eurjchem-2484	448	28	data	datum	NOUN
eurjchem-2484	448	29	center	center	NOUN
eurjchem-2484	448	30	,	,	PUNCT
eurjchem-2484	448	31	12	12	NUM
eurjchem-2484	448	32	union	union	NOUN
eurjchem-2484	448	33	road	road	NOUN
eurjchem-2484	448	34	,	,	PUNCT
eurjchem-2484	448	35	cambridge	cambridge	PROPN
eurjchem-2484	448	36	cb2	cb2	PROPN
eurjchem-2484	448	37	1ez	1ez	PROPN
eurjchem-2484	448	38	,	,	PUNCT
eurjchem-2484	448	39	uk	uk	PROPN
eurjchem-2484	448	40	;	;	PUNCT
eurjchem-2484	448	41	fax	fax	NOUN
eurjchem-2484	448	42	:	:	PUNCT
eurjchem-2484	448	43	+44(0)1223	+44(0)1223	PROPN
eurjchem-2484	448	44	-	-	PUNCT
eurjchem-2484	448	45	336033	336033	NUM
eurjchem-2484	448	46	.	.	PUNCT
eurjchem-2484	449	1	disclosure	disclosure	NOUN
eurjchem-2484	449	2	statement	statement	NOUN
eurjchem-2484	449	3	conflict	conflict	NOUN
eurjchem-2484	449	4	of	of	ADP
eurjchem-2484	449	5	interest	interest	NOUN
eurjchem-2484	449	6	:	:	PUNCT
eurjchem-2484	449	7	the	the	DET
eurjchem-2484	449	8	author	author	NOUN
eurjchem-2484	449	9	declares	declare	VERB
eurjchem-2484	449	10	that	that	SCONJ
eurjchem-2484	449	11	they	they	PRON
eurjchem-2484	449	12	have	have	VERB
eurjchem-2484	449	13	no	no	DET
eurjchem-2484	449	14	conflict	conflict	NOUN
eurjchem-2484	449	15	of	of	ADP
eurjchem-2484	449	16	interest	interest	NOUN
eurjchem-2484	449	17	.	.	PUNCT
eurjchem-2484	450	1	ethical	ethical	ADJ
eurjchem-2484	450	2	approval	approval	NOUN
eurjchem-2484	450	3	:	:	PUNCT
eurjchem-2484	451	1	all	all	DET
eurjchem-2484	451	2	ethical	ethical	ADJ
eurjchem-2484	451	3	guidelines	guideline	NOUN
eurjchem-2484	451	4	have	have	AUX
eurjchem-2484	451	5	been	be	AUX
eurjchem-2484	451	6	followed	follow	VERB
eurjchem-2484	451	7	.	.	PUNCT
eurjchem-2484	452	1	sample	sample	NOUN
eurjchem-2484	452	2	availability	availability	NOUN
eurjchem-2484	452	3	:	:	PUNCT
eurjchem-2484	452	4	samples	sample	NOUN
eurjchem-2484	452	5	of	of	ADP
eurjchem-2484	452	6	the	the	DET
eurjchem-2484	452	7	compound	compound	NOUN
eurjchem-2484	452	8	are	be	AUX
eurjchem-2484	452	9	available	available	ADJ
eurjchem-2484	452	10	from	from	ADP
eurjchem-2484	452	11	the	the	DET
eurjchem-2484	452	12	author	author	NOUN
eurjchem-2484	452	13	.	.	PUNCT
eurjchem-2484	453	1	funding	funding	NOUN
eurjchem-2484	453	2	research	research	NOUN
eurjchem-2484	453	3	work	work	NOUN
eurjchem-2484	453	4	is	be	AUX
eurjchem-2484	453	5	carried	carry	VERB
eurjchem-2484	453	6	out	out	ADP
eurjchem-2484	453	7	at	at	ADP
eurjchem-2484	453	8	the	the	DET
eurjchem-2484	453	9	bhabha	bhabha	NOUN
eurjchem-2484	453	10	atomic	atomic	PROPN
eurjchem-2484	453	11	research	research	PROPN
eurjchem-2484	453	12	center	center	PROPN
eurjchem-2484	453	13	,	,	PUNCT
eurjchem-2484	453	14	trombay	trombay	PROPN
eurjchem-2484	453	15	,	,	PUNCT
eurjchem-2484	453	16	mumbai	mumbai	PROPN
eurjchem-2484	453	17	400085	400085	NUM
eurjchem-2484	453	18	,	,	PUNCT
eurjchem-2484	453	19	india	india	PROPN
eurjchem-2484	453	20	,	,	PUNCT
eurjchem-2484	453	21	which	which	PRON
eurjchem-2484	453	22	is	be	AUX
eurjchem-2484	453	23	funded	fund	VERB
eurjchem-2484	453	24	by	by	ADP
eurjchem-2484	453	25	the	the	DET
eurjchem-2484	453	26	indian	indian	ADJ
eurjchem-2484	453	27	government	government	NOUN
eurjchem-2484	453	28	.	.	PUNCT
eurjchem-2484	454	1	orcid	orcid	NOUN
eurjchem-2484	454	2	and	and	CCONJ
eurjchem-2484	454	3	email	email	NOUN
eurjchem-2484	454	4	lata	lata	PROPN
eurjchem-2484	454	5	panicker	panicker	PROPN
eurjchem-2484	454	6	lata_panicker@yahoo.com	lata_panicker@yahoo.com	PROPN
eurjchem-2484	454	7	lata@barc.gov.in	lata@barc.gov.in	PROPN
eurjchem-2484	454	8	https://orcid.org/0000-0001-5448-7502	https://orcid.org/0000-0001-5448-7502	PROPN
eurjchem-2484	454	9	references	reference	VERB
eurjchem-2484	454	10	[	[	X
eurjchem-2484	454	11	1	1	NUM
eurjchem-2484	454	12	]	]	PUNCT
eurjchem-2484	454	13	.	.	PUNCT
eurjchem-2484	455	1	wojtaś	wojtaś	NOUN
eurjchem-2484	455	2	,	,	PUNCT
eurjchem-2484	455	3	m.	m.	NOUN
eurjchem-2484	455	4	;	;	PUNCT
eurjchem-2484	455	5	ga¸gor	ga¸gor	VERB
eurjchem-2484	455	6	,	,	PUNCT
eurjchem-2484	455	7	a.	a.	NOUN
eurjchem-2484	455	8	;	;	PUNCT
eurjchem-2484	455	9	czupiński	czupiński	VERB
eurjchem-2484	455	10	,	,	PUNCT
eurjchem-2484	455	11	o.	o.	PROPN
eurjchem-2484	455	12	;	;	PUNCT
eurjchem-2484	455	13	pietraszko	pietraszko	PROPN
eurjchem-2484	455	14	,	,	PUNCT
eurjchem-2484	455	15	a.	a.	NOUN
eurjchem-2484	455	16	;	;	PUNCT
eurjchem-2484	455	17	jakubas	jakubas	PROPN
eurjchem-2484	455	18	,	,	PUNCT
eurjchem-2484	455	19	r.	r.	PROPN
eurjchem-2484	455	20	2,4,6trimethylpyridinium	2,4,6trimethylpyridinium	NUM
eurjchem-2484	455	21	perchlorate	perchlorate	NOUN
eurjchem-2484	455	22	:	:	PUNCT
eurjchem-2484	455	23	polar	polar	ADJ
eurjchem-2484	455	24	properties	property	NOUN
eurjchem-2484	455	25	and	and	CCONJ
eurjchem-2484	455	26	correlations	correlation	NOUN
eurjchem-2484	455	27	with	with	ADP
eurjchem-2484	455	28	molecular	molecular	ADJ
eurjchem-2484	455	29	structure	structure	NOUN
eurjchem-2484	455	30	of	of	ADP
eurjchem-2484	455	31	organic	organic	ADJ
eurjchem-2484	455	32	–	–	PUNCT
eurjchem-2484	455	33	inorganic	inorganic	ADJ
eurjchem-2484	455	34	hybrid	hybrid	NOUN
eurjchem-2484	455	35	crystal	crystal	NOUN
eurjchem-2484	455	36	.	.	PUNCT
eurjchem-2484	456	1	j.	j.	PROPN
eurjchem-2484	456	2	solid	solid	PROPN
eurjchem-2484	456	3	state	state	PROPN
eurjchem-2484	456	4	chem	chem	NOUN
eurjchem-2484	456	5	.	.	PUNCT
eurjchem-2484	457	1	2009	2009	NUM
eurjchem-2484	457	2	,	,	PUNCT
eurjchem-2484	457	3	182	182	NUM
eurjchem-2484	457	4	,	,	PUNCT
eurjchem-2484	457	5	3021–3030	3021–3030	NUM
eurjchem-2484	457	6	.	.	PUNCT
eurjchem-2484	458	1	[	[	X
eurjchem-2484	458	2	2	2	NUM
eurjchem-2484	458	3	]	]	PUNCT
eurjchem-2484	458	4	.	.	PUNCT
eurjchem-2484	459	1	parola	parola	PROPN
eurjchem-2484	459	2	,	,	PUNCT
eurjchem-2484	459	3	s.	s.	PROPN
eurjchem-2484	459	4	;	;	PUNCT
eurjchem-2484	459	5	julián	julián	NOUN
eurjchem-2484	459	6	-	-	PUNCT
eurjchem-2484	459	7	lópez	lópez	PROPN
eurjchem-2484	459	8	,	,	PUNCT
eurjchem-2484	459	9	b.	b.	PROPN
eurjchem-2484	459	10	;	;	PUNCT
eurjchem-2484	459	11	carlos	carlos	PROPN
eurjchem-2484	459	12	,	,	PUNCT
eurjchem-2484	459	13	l.	l.	PROPN
eurjchem-2484	459	14	d.	d.	PROPN
eurjchem-2484	459	15	;	;	PUNCT
eurjchem-2484	459	16	sanchez	sanchez	PROPN
eurjchem-2484	459	17	,	,	PUNCT
eurjchem-2484	459	18	c.	c.	PROPN
eurjchem-2484	459	19	optical	optical	ADJ
eurjchem-2484	459	20	properties	property	NOUN
eurjchem-2484	459	21	of	of	ADP
eurjchem-2484	459	22	hybrid	hybrid	ADJ
eurjchem-2484	459	23	organic	organic	ADJ
eurjchem-2484	459	24	-	-	PUNCT
eurjchem-2484	459	25	inorganic	inorganic	ADJ
eurjchem-2484	459	26	materials	material	NOUN
eurjchem-2484	459	27	and	and	CCONJ
eurjchem-2484	459	28	their	their	PRON
eurjchem-2484	459	29	applications	application	NOUN
eurjchem-2484	459	30	.	.	PUNCT
eurjchem-2484	460	1	adv	adv	PROPN
eurjchem-2484	460	2	.	.	PUNCT
eurjchem-2484	461	1	funct	funct	PROPN
eurjchem-2484	461	2	.	.	PUNCT
eurjchem-2484	462	1	mater	mater	NOUN
eurjchem-2484	462	2	.	.	PROPN
eurjchem-2484	463	1	2016	2016	NUM
eurjchem-2484	463	2	,	,	PUNCT
eurjchem-2484	463	3	26	26	NUM
eurjchem-2484	463	4	,	,	PUNCT
eurjchem-2484	463	5	6506–6544	6506–6544	NUM
eurjchem-2484	463	6	.	.	PUNCT
eurjchem-2484	464	1	[	[	X
eurjchem-2484	464	2	3	3	NUM
eurjchem-2484	464	3	]	]	PUNCT
eurjchem-2484	464	4	.	.	PUNCT
eurjchem-2484	465	1	dos	dos	PROPN
eurjchem-2484	465	2	santos	santos	PROPN
eurjchem-2484	465	3	,	,	PUNCT
eurjchem-2484	465	4	l.	l.	PROPN
eurjchem-2484	465	5	;	;	PUNCT
eurjchem-2484	465	6	macchi	macchi	PROPN
eurjchem-2484	465	7	,	,	PUNCT
eurjchem-2484	465	8	p.	p.	NOUN
eurjchem-2484	465	9	the	the	DET
eurjchem-2484	465	10	role	role	NOUN
eurjchem-2484	465	11	of	of	ADP
eurjchem-2484	465	12	hydrogen	hydrogen	NOUN
eurjchem-2484	465	13	bond	bond	NOUN
eurjchem-2484	465	14	in	in	ADP
eurjchem-2484	465	15	designing	design	VERB
eurjchem-2484	465	16	molecular	molecular	ADJ
eurjchem-2484	465	17	optical	optical	ADJ
eurjchem-2484	465	18	materials	material	NOUN
eurjchem-2484	465	19	.	.	PUNCT
eurjchem-2484	466	1	crystals	crystal	NOUN
eurjchem-2484	466	2	(	(	PUNCT
eurjchem-2484	466	3	basel	basel	PROPN
eurjchem-2484	466	4	)	)	PUNCT
eurjchem-2484	466	5	2016	2016	NUM
eurjchem-2484	466	6	,	,	PUNCT
eurjchem-2484	466	7	6	6	NUM
eurjchem-2484	466	8	,	,	PUNCT
eurjchem-2484	466	9	43–56	43–56	NUM
eurjchem-2484	466	10	.	.	PUNCT
eurjchem-2484	467	1	[	[	X
eurjchem-2484	467	2	4	4	NUM
eurjchem-2484	467	3	]	]	PUNCT
eurjchem-2484	467	4	.	.	PUNCT
eurjchem-2484	468	1	thakuria	thakuria	PROPN
eurjchem-2484	468	2	,	,	PUNCT
eurjchem-2484	468	3	r.	r.	PROPN
eurjchem-2484	468	4	;	;	PUNCT
eurjchem-2484	468	5	delori	delori	PROPN
eurjchem-2484	468	6	,	,	PUNCT
eurjchem-2484	468	7	a.	a.	NOUN
eurjchem-2484	468	8	;	;	PUNCT
eurjchem-2484	468	9	jones	jones	PROPN
eurjchem-2484	468	10	,	,	PUNCT
eurjchem-2484	468	11	w.	w.	PROPN
eurjchem-2484	468	12	;	;	PUNCT
eurjchem-2484	468	13	lipert	lipert	NOUN
eurjchem-2484	468	14	,	,	PUNCT
eurjchem-2484	468	15	m.	m.	NOUN
eurjchem-2484	468	16	p.	p.	PROPN
eurjchem-2484	468	17	;	;	PUNCT
eurjchem-2484	468	18	roy	roy	PROPN
eurjchem-2484	468	19	,	,	PUNCT
eurjchem-2484	468	20	l.	l.	PROPN
eurjchem-2484	468	21	;	;	PUNCT
eurjchem-2484	468	22	rodríguezhornedo	rodríguezhornedo	PROPN
eurjchem-2484	468	23	,	,	PUNCT
eurjchem-2484	468	24	n.	n.	NOUN
eurjchem-2484	468	25	pharmaceutical	pharmaceutical	NOUN
eurjchem-2484	468	26	cocrystals	cocrystal	NOUN
eurjchem-2484	468	27	and	and	CCONJ
eurjchem-2484	468	28	poorly	poorly	ADV
eurjchem-2484	468	29	soluble	soluble	ADJ
eurjchem-2484	468	30	drugs	drug	NOUN
eurjchem-2484	468	31	.	.	PUNCT
eurjchem-2484	469	1	int	int	NOUN
eurjchem-2484	469	2	.	.	PUNCT
eurjchem-2484	470	1	j.	j.	PROPN
eurjchem-2484	470	2	pharm	pharm	PROPN
eurjchem-2484	470	3	.	.	PUNCT
eurjchem-2484	471	1	2013	2013	NUM
eurjchem-2484	471	2	,	,	PUNCT
eurjchem-2484	471	3	453	453	NUM
eurjchem-2484	471	4	,	,	PUNCT
eurjchem-2484	471	5	101–125	101–125	NUM
eurjchem-2484	471	6	.	.	PUNCT
eurjchem-2484	472	1	[	[	X
eurjchem-2484	472	2	5	5	NUM
eurjchem-2484	472	3	]	]	PUNCT
eurjchem-2484	472	4	.	.	PUNCT
eurjchem-2484	472	5	bharate	bharate	NOUN
eurjchem-2484	472	6	,	,	PUNCT
eurjchem-2484	472	7	s.	s.	PROPN
eurjchem-2484	472	8	s.	s.	PROPN
eurjchem-2484	472	9	recent	recent	ADJ
eurjchem-2484	472	10	developments	development	NOUN
eurjchem-2484	472	11	in	in	ADP
eurjchem-2484	472	12	pharmaceutical	pharmaceutical	ADJ
eurjchem-2484	472	13	salts	salt	NOUN
eurjchem-2484	472	14	:	:	PUNCT
eurjchem-2484	472	15	fda	fda	PROPN
eurjchem-2484	472	16	approvals	approval	NOUN
eurjchem-2484	472	17	from	from	ADP
eurjchem-2484	472	18	2015	2015	NUM
eurjchem-2484	472	19	to	to	ADP
eurjchem-2484	472	20	2019	2019	NUM
eurjchem-2484	472	21	.	.	PUNCT
eurjchem-2484	473	1	drug	drug	NOUN
eurjchem-2484	473	2	discov	discov	NOUN
eurjchem-2484	473	3	.	.	PUNCT
eurjchem-2484	474	1	today	today	NOUN
eurjchem-2484	474	2	2021	2021	NUM
eurjchem-2484	474	3	,	,	PUNCT
eurjchem-2484	474	4	26	26	NUM
eurjchem-2484	474	5	,	,	PUNCT
eurjchem-2484	474	6	384–398	384–398	NUM
eurjchem-2484	474	7	.	.	PUNCT
eurjchem-2484	475	1	[	[	X
eurjchem-2484	475	2	6	6	NUM
eurjchem-2484	475	3	]	]	PUNCT
eurjchem-2484	475	4	.	.	PUNCT
eurjchem-2484	475	5	mahé	mahé	NOUN
eurjchem-2484	475	6	,	,	PUNCT
eurjchem-2484	475	7	n.	n.	NOUN
eurjchem-2484	475	8	;	;	PUNCT
eurjchem-2484	475	9	nicolaï	nicolaï	PROPN
eurjchem-2484	475	10	,	,	PUNCT
eurjchem-2484	475	11	b.	b.	PROPN
eurjchem-2484	475	12	;	;	PUNCT
eurjchem-2484	475	13	allouchi	allouchi	PROPN
eurjchem-2484	475	14	,	,	PUNCT
eurjchem-2484	475	15	h.	h.	PROPN
eurjchem-2484	475	16	;	;	PUNCT
eurjchem-2484	475	17	barrio	barrio	PROPN
eurjchem-2484	475	18	,	,	PUNCT
eurjchem-2484	475	19	m.	m.	NOUN
eurjchem-2484	475	20	;	;	PUNCT
eurjchem-2484	476	1	do	do	VERB
eurjchem-2484	476	2	,	,	PUNCT
eurjchem-2484	476	3	b.	b.	PROPN
eurjchem-2484	476	4	;	;	PUNCT
eurjchem-2484	476	5	céolin	céolin	PROPN
eurjchem-2484	476	6	,	,	PUNCT
eurjchem-2484	476	7	r.	r.	PROPN
eurjchem-2484	476	8	;	;	PUNCT
eurjchem-2484	476	9	tamarit	tamarit	NOUN
eurjchem-2484	476	10	,	,	PUNCT
eurjchem-2484	476	11	j.-l	j.-l	PROPN
eurjchem-2484	476	12	.	.	PUNCT
eurjchem-2484	476	13	;	;	PUNCT
eurjchem-2484	477	1	rietveld	rietveld	PROPN
eurjchem-2484	477	2	,	,	PUNCT
eurjchem-2484	477	3	i.	i.	PROPN
eurjchem-2484	477	4	b.	b.	PROPN
eurjchem-2484	477	5	crystal	crystal	PROPN
eurjchem-2484	477	6	structure	structure	NOUN
eurjchem-2484	477	7	and	and	CCONJ
eurjchem-2484	477	8	solid	solid	ADJ
eurjchem-2484	477	9	-	-	PUNCT
eurjchem-2484	477	10	state	state	NOUN
eurjchem-2484	477	11	properties	property	NOUN
eurjchem-2484	477	12	of	of	ADP
eurjchem-2484	477	13	3,4diaminopyridine	3,4diaminopyridine	NUM
eurjchem-2484	477	14	dihydrogen	dihydrogen	NOUN
eurjchem-2484	477	15	phosphate	phosphate	NOUN
eurjchem-2484	477	16	and	and	CCONJ
eurjchem-2484	477	17	their	their	PRON
eurjchem-2484	477	18	comparison	comparison	NOUN
eurjchem-2484	477	19	with	with	ADP
eurjchem-2484	477	20	other	other	ADJ
eurjchem-2484	477	21	diaminopyridine	diaminopyridine	NOUN
eurjchem-2484	477	22	salts	salt	NOUN
eurjchem-2484	477	23	.	.	PUNCT
eurjchem-2484	478	1	cryst	cryst	ADJ
eurjchem-2484	478	2	.	.	PUNCT
eurjchem-2484	479	1	growth	growth	PROPN
eurjchem-2484	479	2	des	des	PROPN
eurjchem-2484	479	3	.	.	PROPN
eurjchem-2484	479	4	2013	2013	NUM
eurjchem-2484	479	5	,	,	PUNCT
eurjchem-2484	479	6	13	13	NUM
eurjchem-2484	479	7	,	,	PUNCT
eurjchem-2484	479	8	708–715	708–715	NUM
eurjchem-2484	479	9	.	.	PUNCT
eurjchem-2484	480	1	[	[	X
eurjchem-2484	480	2	7	7	NUM
eurjchem-2484	480	3	]	]	PUNCT
eurjchem-2484	480	4	.	.	PUNCT
eurjchem-2484	480	5	benali	benali	PROPN
eurjchem-2484	480	6	-	-	PUNCT
eurjchem-2484	480	7	cherif	cherif	PROPN
eurjchem-2484	480	8	,	,	PUNCT
eurjchem-2484	480	9	n.	n.	PROPN
eurjchem-2484	480	10	;	;	PUNCT
eurjchem-2484	480	11	abouimrane	abouimrane	PROPN
eurjchem-2484	480	12	,	,	PUNCT
eurjchem-2484	480	13	a.	a.	NOUN
eurjchem-2484	480	14	;	;	PUNCT
eurjchem-2484	480	15	sbai	sbai	PROPN
eurjchem-2484	480	16	,	,	PUNCT
eurjchem-2484	480	17	k.	k.	PROPN
eurjchem-2484	480	18	;	;	PUNCT
eurjchem-2484	480	19	merazig	merazig	PROPN
eurjchem-2484	480	20	,	,	PUNCT
eurjchem-2484	480	21	h.	h.	PROPN
eurjchem-2484	480	22	;	;	PUNCT
eurjchem-2484	480	23	cherouana	cherouana	PROPN
eurjchem-2484	480	24	,	,	PUNCT
eurjchem-2484	480	25	a.	a.	NOUN
eurjchem-2484	480	26	;	;	PUNCT
eurjchem-2484	480	27	bendjeddou	bendjeddou	PROPN
eurjchem-2484	480	28	,	,	PUNCT
eurjchem-2484	480	29	l.	l.	PROPN
eurjchem-2484	480	30	p	p	PROPN
eurjchem-2484	480	31	-	-	PUNCT
eurjchem-2484	480	32	carboxyphenylammonium	carboxyphenylammonium	NOUN
eurjchem-2484	480	33	dihydrogenmono	dihydrogenmono	ADJ
eurjchem-2484	480	34	phosphate	phosphate	NOUN
eurjchem-2484	480	35	monohydrate	monohydrate	NOUN
eurjchem-2484	480	36	.	.	PUNCT
eurjchem-2484	481	1	acta	acta	PROPN
eurjchem-2484	481	2	crystallogr	crystallogr	PROPN
eurjchem-2484	481	3	.	.	PUNCT
eurjchem-2484	482	1	sect	sect	NOUN
eurjchem-2484	482	2	.	.	PUNCT
eurjchem-2484	483	1	e	e	NOUN
eurjchem-2484	483	2	struct	struct	NOUN
eurjchem-2484	483	3	.	.	PUNCT
eurjchem-2484	484	1	rep	rep	PROPN
eurjchem-2484	484	2	.	.	PROPN
eurjchem-2484	484	3	online	online	PROPN
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eurjchem-2484	484	5	,	,	PUNCT
eurjchem-2484	484	6	58	58	NUM
eurjchem-2484	484	7	,	,	PUNCT
eurjchem-2484	484	8	o160	o160	PROPN
eurjchem-2484	484	9	–	–	PUNCT
eurjchem-2484	484	10	o161	o161	PROPN
eurjchem-2484	484	11	.	.	PUNCT
eurjchem-2484	485	1	[	[	X
eurjchem-2484	485	2	8	8	NUM
eurjchem-2484	485	3	]	]	PUNCT
eurjchem-2484	485	4	.	.	PUNCT
eurjchem-2484	485	5	benali	benali	PROPN
eurjchem-2484	485	6	-	-	PUNCT
eurjchem-2484	485	7	cherif	cherif	PROPN
eurjchem-2484	485	8	,	,	PUNCT
eurjchem-2484	485	9	n.	n.	PROPN
eurjchem-2484	485	10	;	;	PUNCT
eurjchem-2484	485	11	direm	direm	PROPN
eurjchem-2484	485	12	,	,	PUNCT
eurjchem-2484	485	13	a.	a.	NOUN
eurjchem-2484	485	14	;	;	PUNCT
eurjchem-2484	485	15	allouche	allouche	PROPN
eurjchem-2484	485	16	,	,	PUNCT
eurjchem-2484	485	17	f.	f.	PROPN
eurjchem-2484	485	18	;	;	PUNCT
eurjchem-2484	485	19	soudani	soudani	PROPN
eurjchem-2484	485	20	,	,	PUNCT
eurjchem-2484	485	21	k.	k.	PROPN
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eurjchem-2484	485	24	in	in	ADP
eurjchem-2484	485	25	4	4	NUM
eurjchem-2484	485	26	-	-	PUNCT
eurjchem-2484	485	27	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	485	28	dihydrogenphosphate	dihydrogenphosphate	NOUN
eurjchem-2484	485	29	.	.	PUNCT
eurjchem-2484	486	1	acta	acta	PROPN
eurjchem-2484	486	2	crystallogr	crystallogr	PROPN
eurjchem-2484	486	3	.	.	PUNCT
eurjchem-2484	487	1	sect	sect	NOUN
eurjchem-2484	487	2	.	.	PUNCT
eurjchem-2484	488	1	e	e	NOUN
eurjchem-2484	488	2	struct	struct	NOUN
eurjchem-2484	488	3	.	.	PUNCT
eurjchem-2484	489	1	rep	rep	PROPN
eurjchem-2484	489	2	.	.	PROPN
eurjchem-2484	489	3	online	online	ADJ
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eurjchem-2484	489	5	,	,	PUNCT
eurjchem-2484	489	6	63	63	NUM
eurjchem-2484	489	7	,	,	PUNCT
eurjchem-2484	489	8	o2272	o2272	PROPN
eurjchem-2484	489	9	–	–	PUNCT
eurjchem-2484	489	10	o2274	o2274	NOUN
eurjchem-2484	489	11	.	.	PUNCT
eurjchem-2484	490	1	[	[	X
eurjchem-2484	490	2	9	9	NUM
eurjchem-2484	490	3	]	]	PUNCT
eurjchem-2484	490	4	.	.	PUNCT
eurjchem-2484	491	1	agilent	agilent	PROPN
eurjchem-2484	491	2	(	(	PUNCT
eurjchem-2484	491	3	2015	2015	NUM
eurjchem-2484	491	4	)	)	PUNCT
eurjchem-2484	491	5	.	.	PUNCT
eurjchem-2484	492	1	crysalis	crysalis	PROPN
eurjchem-2484	492	2	pro	pro	X
eurjchem-2484	492	3	.	.	PUNCT
eurjchem-2484	493	1	agilent	agilent	PROPN
eurjchem-2484	493	2	technologies	technologies	PROPN
eurjchem-2484	493	3	ltd	ltd	PROPN
eurjchem-2484	493	4	,	,	PUNCT
eurjchem-2484	493	5	yarnton	yarnton	PROPN
eurjchem-2484	493	6	,	,	PUNCT
eurjchem-2484	493	7	oxfordshire	oxfordshire	PROPN
eurjchem-2484	493	8	,	,	PUNCT
eurjchem-2484	493	9	england	england	PROPN
eurjchem-2484	493	10	.	.	PUNCT
eurjchem-2484	494	1	[	[	X
eurjchem-2484	494	2	10	10	NUM
eurjchem-2484	494	3	]	]	PUNCT
eurjchem-2484	494	4	.	.	PUNCT
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eurjchem-2484	494	6	,	,	PUNCT
eurjchem-2484	494	7	g.	g.	PROPN
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eurjchem-2484	494	10	–	–	PUNCT
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eurjchem-2484	494	12	space	space	NOUN
eurjchem-2484	494	13	-	-	PUNCT
eurjchem-2484	494	14	group	group	NOUN
eurjchem-2484	494	15	and	and	CCONJ
eurjchem-2484	494	16	crystalstructure	crystalstructure	NOUN
eurjchem-2484	494	17	determination	determination	NOUN
eurjchem-2484	494	18	.	.	PUNCT
eurjchem-2484	495	1	acta	acta	PROPN
eurjchem-2484	495	2	crystallogr	crystallogr	PROPN
eurjchem-2484	495	3	.	.	PUNCT
eurjchem-2484	496	1	a	a	DET
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eurjchem-2484	496	3	.	.	PUNCT
eurjchem-2484	497	1	adv	adv	PROPN
eurjchem-2484	497	2	.	.	PROPN
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eurjchem-2484	497	4	,	,	PUNCT
eurjchem-2484	497	5	71	71	NUM
eurjchem-2484	497	6	,	,	PUNCT
eurjchem-2484	497	7	3	3	NUM
eurjchem-2484	497	8	–	–	PUNCT
eurjchem-2484	497	9	8	8	NUM
eurjchem-2484	497	10	.	.	PUNCT
eurjchem-2484	498	1	[	[	X
eurjchem-2484	498	2	11	11	NUM
eurjchem-2484	498	3	]	]	PUNCT
eurjchem-2484	498	4	.	.	PUNCT
eurjchem-2484	498	5	sheldrick	sheldrick	NOUN
eurjchem-2484	498	6	,	,	PUNCT
eurjchem-2484	498	7	g.	g.	PROPN
eurjchem-2484	498	8	m.	m.	PROPN
eurjchem-2484	498	9	crystal	crystal	PROPN
eurjchem-2484	498	10	structure	structure	NOUN
eurjchem-2484	498	11	refinement	refinement	NOUN
eurjchem-2484	498	12	with	with	ADP
eurjchem-2484	498	13	shelxl	shelxl	NOUN
eurjchem-2484	498	14	.	.	PUNCT
eurjchem-2484	499	1	acta	acta	PROPN
eurjchem-2484	499	2	crystallogr	crystallogr	PROPN
eurjchem-2484	499	3	.	.	PUNCT
eurjchem-2484	500	1	c	c	PROPN
eurjchem-2484	500	2	struct	struct	NOUN
eurjchem-2484	500	3	.	.	PUNCT
eurjchem-2484	501	1	chem	chem	NOUN
eurjchem-2484	501	2	.	.	PUNCT
eurjchem-2484	502	1	2015	2015	NUM
eurjchem-2484	502	2	,	,	PUNCT
eurjchem-2484	502	3	71	71	NUM
eurjchem-2484	502	4	,	,	PUNCT
eurjchem-2484	502	5	3–8	3–8	NUM
eurjchem-2484	502	6	.	.	PUNCT
eurjchem-2484	503	1	[	[	X
eurjchem-2484	503	2	12	12	NUM
eurjchem-2484	503	3	]	]	PUNCT
eurjchem-2484	503	4	.	.	PUNCT
eurjchem-2484	504	1	dolomanov	dolomanov	NOUN
eurjchem-2484	504	2	,	,	PUNCT
eurjchem-2484	504	3	o.	o.	PROPN
eurjchem-2484	504	4	v.	v.	PROPN
eurjchem-2484	504	5	;	;	PUNCT
eurjchem-2484	504	6	bourhis	bourhis	NOUN
eurjchem-2484	504	7	,	,	PUNCT
eurjchem-2484	504	8	l.	l.	PROPN
eurjchem-2484	504	9	j.	j.	PROPN
eurjchem-2484	504	10	;	;	PUNCT
eurjchem-2484	504	11	gildea	gildea	PROPN
eurjchem-2484	504	12	,	,	PUNCT
eurjchem-2484	504	13	r.	r.	PROPN
eurjchem-2484	504	14	j.	j.	PROPN
eurjchem-2484	504	15	;	;	PUNCT
eurjchem-2484	504	16	howard	howard	PROPN
eurjchem-2484	504	17	,	,	PUNCT
eurjchem-2484	504	18	j.	j.	PROPN
eurjchem-2484	504	19	a.	a.	PROPN
eurjchem-2484	504	20	k.	k.	PROPN
eurjchem-2484	504	21	;	;	PUNCT
eurjchem-2484	504	22	puschmann	puschmann	PROPN
eurjchem-2484	504	23	,	,	PUNCT
eurjchem-2484	504	24	h.	h.	PROPN
eurjchem-2484	504	25	olex2	olex2	PROPN
eurjchem-2484	504	26	:	:	PUNCT
eurjchem-2484	504	27	a	a	DET
eurjchem-2484	504	28	complete	complete	ADJ
eurjchem-2484	504	29	structure	structure	NOUN
eurjchem-2484	504	30	solution	solution	NOUN
eurjchem-2484	504	31	,	,	PUNCT
eurjchem-2484	504	32	refinement	refinement	NOUN
eurjchem-2484	504	33	and	and	CCONJ
eurjchem-2484	504	34	analysis	analysis	NOUN
eurjchem-2484	504	35	program	program	NOUN
eurjchem-2484	504	36	.	.	PUNCT
eurjchem-2484	505	1	j.	j.	PROPN
eurjchem-2484	505	2	appl	appl	PROPN
eurjchem-2484	505	3	.	.	PROPN
eurjchem-2484	505	4	crystallogr	crystallogr	PROPN
eurjchem-2484	505	5	.	.	PUNCT
eurjchem-2484	506	1	2009	2009	NUM
eurjchem-2484	506	2	,	,	PUNCT
eurjchem-2484	506	3	42	42	NUM
eurjchem-2484	506	4	,	,	PUNCT
eurjchem-2484	506	5	339–341	339–341	NUM
eurjchem-2484	506	6	.	.	PUNCT
eurjchem-2484	507	1	[	[	X
eurjchem-2484	507	2	13	13	NUM
eurjchem-2484	507	3	]	]	PUNCT
eurjchem-2484	507	4	.	.	PUNCT
eurjchem-2484	508	1	spackman	spackman	PROPN
eurjchem-2484	508	2	,	,	PUNCT
eurjchem-2484	508	3	p.	p.	PROPN
eurjchem-2484	508	4	r.	r.	PROPN
eurjchem-2484	508	5	;	;	PUNCT
eurjchem-2484	508	6	turner	turner	PROPN
eurjchem-2484	508	7	,	,	PUNCT
eurjchem-2484	508	8	m.	m.	PROPN
eurjchem-2484	508	9	j.	j.	PROPN
eurjchem-2484	508	10	;	;	PUNCT
eurjchem-2484	508	11	mckinnon	mckinnon	PROPN
eurjchem-2484	508	12	,	,	PUNCT
eurjchem-2484	508	13	j.	j.	PROPN
eurjchem-2484	508	14	j.	j.	PROPN
eurjchem-2484	508	15	;	;	PUNCT
eurjchem-2484	508	16	wolff	wolff	PROPN
eurjchem-2484	508	17	,	,	PUNCT
eurjchem-2484	508	18	s.	s.	PROPN
eurjchem-2484	508	19	k.	k.	PROPN
eurjchem-2484	508	20	;	;	PUNCT
eurjchem-2484	508	21	grimwood	grimwood	PROPN
eurjchem-2484	508	22	,	,	PUNCT
eurjchem-2484	508	23	d.	d.	PROPN
eurjchem-2484	508	24	j.	j.	PROPN
eurjchem-2484	508	25	;	;	PUNCT
eurjchem-2484	508	26	jayatilaka	jayatilaka	PROPN
eurjchem-2484	508	27	,	,	PUNCT
eurjchem-2484	508	28	d.	d.	PROPN
eurjchem-2484	508	29	;	;	PUNCT
eurjchem-2484	508	30	spackman	spackman	NOUN
eurjchem-2484	508	31	,	,	PUNCT
eurjchem-2484	508	32	m.	m.	NOUN
eurjchem-2484	508	33	a.	a.	NOUN
eurjchem-2484	508	34	crystalexplorer	crystalexplorer	PROPN
eurjchem-2484	508	35	:	:	PUNCT
eurjchem-2484	508	36	a	a	DET
eurjchem-2484	508	37	program	program	NOUN
eurjchem-2484	508	38	for	for	ADP
eurjchem-2484	508	39	hirshfeld	hirshfeld	PROPN
eurjchem-2484	508	40	surface	surface	NOUN
eurjchem-2484	508	41	analysis	analysis	NOUN
eurjchem-2484	508	42	,	,	PUNCT
eurjchem-2484	508	43	visualization	visualization	NOUN
eurjchem-2484	508	44	and	and	CCONJ
eurjchem-2484	508	45	quantitative	quantitative	ADJ
eurjchem-2484	508	46	analysis	analysis	NOUN
eurjchem-2484	508	47	of	of	ADP
eurjchem-2484	508	48	molecular	molecular	ADJ
eurjchem-2484	508	49	crystals	crystal	NOUN
eurjchem-2484	508	50	.	.	PUNCT
eurjchem-2484	509	1	j.	j.	PROPN
eurjchem-2484	509	2	appl	appl	PROPN
eurjchem-2484	509	3	.	.	PROPN
eurjchem-2484	509	4	crystallogr	crystallogr	PROPN
eurjchem-2484	509	5	.	.	PUNCT
eurjchem-2484	510	1	2021	2021	NUM
eurjchem-2484	510	2	,	,	PUNCT
eurjchem-2484	510	3	54	54	NUM
eurjchem-2484	510	4	,	,	PUNCT
eurjchem-2484	510	5	1006–1011	1006–1011	NUM
eurjchem-2484	510	6	.	.	PUNCT
eurjchem-2484	511	1	[	[	X
eurjchem-2484	511	2	14	14	NUM
eurjchem-2484	511	3	]	]	SYM
eurjchem-2484	511	4	.	.	PUNCT
eurjchem-2484	512	1	turner	turner	PROPN
eurjchem-2484	512	2	,	,	PUNCT
eurjchem-2484	512	3	m.	m.	PROPN
eurjchem-2484	512	4	j.	j.	PROPN
eurjchem-2484	512	5	;	;	PUNCT
eurjchem-2484	512	6	mckinnon	mckinnon	PROPN
eurjchem-2484	512	7	,	,	PUNCT
eurjchem-2484	512	8	j.	j.	PROPN
eurjchem-2484	512	9	j.	j.	PROPN
eurjchem-2484	512	10	;	;	PUNCT
eurjchem-2484	512	11	wolff	wolff	PROPN
eurjchem-2484	512	12	,	,	PUNCT
eurjchem-2484	512	13	s.	s.	PROPN
eurjchem-2484	512	14	k.	k.	PROPN
eurjchem-2484	512	15	;	;	PUNCT
eurjchem-2484	512	16	grimwood	grimwood	PROPN
eurjchem-2484	512	17	,	,	PUNCT
eurjchem-2484	512	18	d.	d.	PROPN
eurjchem-2484	512	19	j.	j.	PROPN
eurjchem-2484	512	20	;	;	PUNCT
eurjchem-2484	512	21	spackman	spackman	PROPN
eurjchem-2484	512	22	,	,	PUNCT
eurjchem-2484	512	23	p.	p.	PROPN
eurjchem-2484	512	24	r.	r.	PROPN
eurjchem-2484	512	25	;	;	PUNCT
eurjchem-2484	512	26	jayatilaka	jayatilaka	PROPN
eurjchem-2484	512	27	,	,	PUNCT
eurjchem-2484	512	28	d.	d.	PROPN
eurjchem-2484	512	29	;	;	PUNCT
eurjchem-2484	512	30	spackman	spackman	NOUN
eurjchem-2484	512	31	,	,	PUNCT
eurjchem-2484	512	32	m.	m.	NOUN
eurjchem-2484	512	33	a.	a.	NOUN
eurjchem-2484	512	34	(	(	PUNCT
eurjchem-2484	512	35	2017	2017	NUM
eurjchem-2484	512	36	)	)	PUNCT
eurjchem-2484	512	37	crystalexplorer	crystalexplorer	NOUN
eurjchem-2484	512	38	21	21	NUM
eurjchem-2484	512	39	,	,	PUNCT
eurjchem-2484	512	40	university	university	NOUN
eurjchem-2484	512	41	of	of	ADP
eurjchem-2484	512	42	western	western	PROPN
eurjchem-2484	512	43	australia	australia	PROPN
eurjchem-2484	512	44	,	,	PUNCT
eurjchem-2484	512	45	perth	perth	PROPN
eurjchem-2484	512	46	,	,	PUNCT
eurjchem-2484	512	47	australia	australia	PROPN
eurjchem-2484	512	48	.	.	PUNCT
eurjchem-2484	513	1	[	[	X
eurjchem-2484	513	2	15	15	NUM
eurjchem-2484	513	3	]	]	PUNCT
eurjchem-2484	513	4	.	.	PUNCT
eurjchem-2484	514	1	mckinnon	mckinnon	PROPN
eurjchem-2484	514	2	,	,	PUNCT
eurjchem-2484	514	3	j.	j.	PROPN
eurjchem-2484	514	4	j.	j.	PROPN
eurjchem-2484	514	5	;	;	PUNCT
eurjchem-2484	514	6	spackman	spackman	PROPN
eurjchem-2484	514	7	,	,	PUNCT
eurjchem-2484	514	8	m.	m.	NOUN
eurjchem-2484	514	9	a.	a.	PROPN
eurjchem-2484	514	10	;	;	PUNCT
eurjchem-2484	514	11	mitchell	mitchell	PROPN
eurjchem-2484	514	12	,	,	PUNCT
eurjchem-2484	514	13	a.	a.	PROPN
eurjchem-2484	514	14	s.	s.	PROPN
eurjchem-2484	514	15	novel	novel	ADJ
eurjchem-2484	514	16	tools	tool	NOUN
eurjchem-2484	514	17	for	for	ADP
eurjchem-2484	514	18	visualizing	visualize	VERB
eurjchem-2484	514	19	and	and	CCONJ
eurjchem-2484	514	20	exploring	explore	VERB
eurjchem-2484	514	21	intermolecular	intermolecular	ADJ
eurjchem-2484	514	22	interactions	interaction	NOUN
eurjchem-2484	514	23	in	in	ADP
eurjchem-2484	514	24	molecular	molecular	ADJ
eurjchem-2484	514	25	crystals	crystal	NOUN
eurjchem-2484	514	26	.	.	PUNCT
eurjchem-2484	515	1	acta	acta	PROPN
eurjchem-2484	515	2	crystallogr	crystallogr	PROPN
eurjchem-2484	515	3	.	.	PUNCT
eurjchem-2484	516	1	b	b	PROPN
eurjchem-2484	516	2	2004	2004	NUM
eurjchem-2484	516	3	,	,	PUNCT
eurjchem-2484	516	4	60	60	NUM
eurjchem-2484	516	5	,	,	PUNCT
eurjchem-2484	516	6	627–668	627–668	NUM
eurjchem-2484	516	7	.	.	PUNCT
eurjchem-2484	517	1	[	[	X
eurjchem-2484	517	2	16	16	NUM
eurjchem-2484	517	3	]	]	PUNCT
eurjchem-2484	517	4	.	.	PUNCT
eurjchem-2484	517	5	spackman	spackman	PROPN
eurjchem-2484	517	6	,	,	PUNCT
eurjchem-2484	517	7	m.	m.	NOUN
eurjchem-2484	517	8	a.	a.	PROPN
eurjchem-2484	517	9	;	;	PUNCT
eurjchem-2484	517	10	jayatilaka	jayatilaka	PROPN
eurjchem-2484	517	11	,	,	PUNCT
eurjchem-2484	517	12	d.	d.	PROPN
eurjchem-2484	517	13	hirshfeld	hirshfeld	PROPN
eurjchem-2484	517	14	surface	surface	NOUN
eurjchem-2484	517	15	analysis	analysis	NOUN
eurjchem-2484	517	16	.	.	PUNCT
eurjchem-2484	518	1	crystengcomm	crystengcomm	NOUN
eurjchem-2484	518	2	2009	2009	NUM
eurjchem-2484	518	3	,	,	PUNCT
eurjchem-2484	518	4	11	11	NUM
eurjchem-2484	518	5	,	,	PUNCT
eurjchem-2484	518	6	19–32	19–32	NUM
eurjchem-2484	518	7	.	.	PUNCT
eurjchem-2484	519	1	[	[	X
eurjchem-2484	519	2	17	17	NUM
eurjchem-2484	519	3	]	]	PUNCT
eurjchem-2484	519	4	.	.	PUNCT
eurjchem-2484	519	5	spackman	spackman	PROPN
eurjchem-2484	519	6	,	,	PUNCT
eurjchem-2484	519	7	m.	m.	NOUN
eurjchem-2484	519	8	a.	a.	PROPN
eurjchem-2484	519	9	;	;	PUNCT
eurjchem-2484	519	10	mckinnon	mckinnon	PROPN
eurjchem-2484	519	11	,	,	PUNCT
eurjchem-2484	519	12	j.	j.	PROPN
eurjchem-2484	519	13	j.	j.	PROPN
eurjchem-2484	519	14	fingerprinting	fingerprint	VERB
eurjchem-2484	519	15	intermolecular	intermolecular	ADJ
eurjchem-2484	519	16	interactions	interaction	NOUN
eurjchem-2484	519	17	in	in	ADP
eurjchem-2484	519	18	molecular	molecular	ADJ
eurjchem-2484	519	19	crystals	crystal	NOUN
eurjchem-2484	519	20	.	.	PUNCT
eurjchem-2484	520	1	crystengcomm	crystengcomm	NOUN
eurjchem-2484	520	2	2002	2002	NUM
eurjchem-2484	520	3	,	,	PUNCT
eurjchem-2484	520	4	4	4	NUM
eurjchem-2484	520	5	,	,	PUNCT
eurjchem-2484	520	6	378–392	378–392	NUM
eurjchem-2484	520	7	.	.	PUNCT
eurjchem-2484	521	1	[	[	X
eurjchem-2484	521	2	18	18	NUM
eurjchem-2484	521	3	]	]	SYM
eurjchem-2484	521	4	.	.	PUNCT
eurjchem-2484	522	1	turner	turner	PROPN
eurjchem-2484	522	2	,	,	PUNCT
eurjchem-2484	522	3	m.	m.	NOUN
eurjchem-2484	522	4	j.	j.	PROPN
eurjchem-2484	522	5	;	;	PUNCT
eurjchem-2484	522	6	grabowsky	grabowsky	PROPN
eurjchem-2484	522	7	,	,	PUNCT
eurjchem-2484	522	8	s.	s.	PROPN
eurjchem-2484	522	9	;	;	PUNCT
eurjchem-2484	522	10	jayatilaka	jayatilaka	PROPN
eurjchem-2484	522	11	,	,	PUNCT
eurjchem-2484	522	12	d.	d.	PROPN
eurjchem-2484	522	13	;	;	PUNCT
eurjchem-2484	522	14	spackman	spackman	NOUN
eurjchem-2484	522	15	,	,	PUNCT
eurjchem-2484	522	16	m.	m.	NOUN
eurjchem-2484	522	17	a.	a.	NOUN
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eurjchem-2484	522	19	and	and	CCONJ
eurjchem-2484	522	20	efficient	efficient	ADJ
eurjchem-2484	522	21	model	model	NOUN
eurjchem-2484	522	22	energies	energy	NOUN
eurjchem-2484	522	23	for	for	ADP
eurjchem-2484	522	24	exploring	explore	VERB
eurjchem-2484	522	25	intermolecular	intermolecular	ADJ
eurjchem-2484	522	26	interactions	interaction	NOUN
eurjchem-2484	522	27	in	in	ADP
eurjchem-2484	522	28	molecular	molecular	ADJ
eurjchem-2484	522	29	crystals	crystal	NOUN
eurjchem-2484	522	30	.	.	PUNCT
eurjchem-2484	523	1	j.	j.	PROPN
eurjchem-2484	523	2	phys	phys	PROPN
eurjchem-2484	523	3	.	.	PUNCT
eurjchem-2484	524	1	chem	chem	PROPN
eurjchem-2484	524	2	.	.	PUNCT
eurjchem-2484	525	1	lett	lett	PROPN
eurjchem-2484	525	2	.	.	PROPN
eurjchem-2484	526	1	2014	2014	NUM
eurjchem-2484	526	2	,	,	PUNCT
eurjchem-2484	526	3	5	5	NUM
eurjchem-2484	526	4	,	,	PUNCT
eurjchem-2484	526	5	4249–4255	4249–4255	NUM
eurjchem-2484	526	6	.	.	PUNCT
eurjchem-2484	527	1	[	[	X
eurjchem-2484	527	2	19	19	NUM
eurjchem-2484	527	3	]	]	PUNCT
eurjchem-2484	527	4	.	.	PUNCT
eurjchem-2484	528	1	mackenzie	mackenzie	PROPN
eurjchem-2484	528	2	,	,	PUNCT
eurjchem-2484	528	3	c.	c.	PROPN
eurjchem-2484	528	4	f.	f.	PROPN
eurjchem-2484	528	5	;	;	PUNCT
eurjchem-2484	528	6	spackman	spackman	NOUN
eurjchem-2484	528	7	,	,	PUNCT
eurjchem-2484	528	8	p.	p.	PROPN
eurjchem-2484	528	9	r.	r.	PROPN
eurjchem-2484	528	10	;	;	PUNCT
eurjchem-2484	528	11	jayatilaka	jayatilaka	PROPN
eurjchem-2484	528	12	,	,	PUNCT
eurjchem-2484	528	13	d.	d.	PROPN
eurjchem-2484	528	14	;	;	PUNCT
eurjchem-2484	528	15	spackman	spackman	NOUN
eurjchem-2484	528	16	,	,	PUNCT
eurjchem-2484	528	17	m.	m.	NOUN
eurjchem-2484	528	18	a.	a.	PROPN
eurjchem-2484	528	19	crystalexplorermodel	crystalexplorermodel	PROPN
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eurjchem-2484	528	21	and	and	CCONJ
eurjchem-2484	528	22	energy	energy	NOUN
eurjchem-2484	528	23	frameworks	framework	NOUN
eurjchem-2484	528	24	:	:	PUNCT
eurjchem-2484	528	25	extension	extension	NOUN
eurjchem-2484	528	26	to	to	ADP
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eurjchem-2484	528	28	coordination	coordination	NOUN
eurjchem-2484	528	29	compounds	compound	NOUN
eurjchem-2484	528	30	,	,	PUNCT
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eurjchem-2484	528	36	open	open	ADJ
eurjchem-2484	528	37	-	-	PUNCT
eurjchem-2484	528	38	shell	shell	NOUN
eurjchem-2484	528	39	systems	system	NOUN
eurjchem-2484	528	40	.	.	PUNCT
eurjchem-2484	529	1	iucrj	iucrj	NOUN
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eurjchem-2484	529	3	,	,	PUNCT
eurjchem-2484	529	4	4	4	NUM
eurjchem-2484	529	5	,	,	PUNCT
eurjchem-2484	529	6	575–587	575–587	NUM
eurjchem-2484	529	7	.	.	PUNCT
eurjchem-2484	530	1	[	[	X
eurjchem-2484	530	2	20	20	NUM
eurjchem-2484	530	3	]	]	PUNCT
eurjchem-2484	530	4	.	.	PUNCT
eurjchem-2484	530	5	frisch	frisch	PROPN
eurjchem-2484	530	6	,	,	PUNCT
eurjchem-2484	530	7	m.	m.	NOUN
eurjchem-2484	530	8	j.	j.	PROPN
eurjchem-2484	530	9	;	;	PUNCT
eurjchem-2484	530	10	trucks	truck	NOUN
eurjchem-2484	530	11	,	,	PUNCT
eurjchem-2484	530	12	g.	g.	PROPN
eurjchem-2484	530	13	w.	w.	PROPN
eurjchem-2484	530	14	;	;	PUNCT
eurjchem-2484	530	15	schlegel	schlegel	PROPN
eurjchem-2484	530	16	,	,	PUNCT
eurjchem-2484	530	17	h.	h.	PROPN
eurjchem-2484	530	18	b.	b.	PROPN
eurjchem-2484	530	19	;	;	PUNCT
eurjchem-2484	530	20	scuseria	scuseria	PROPN
eurjchem-2484	530	21	,	,	PUNCT
eurjchem-2484	530	22	g.	g.	PROPN
eurjchem-2484	530	23	e.	e.	PROPN
eurjchem-2484	530	24	;	;	PUNCT
eurjchem-2484	530	25	robb	robb	NOUN
eurjchem-2484	530	26	,	,	PUNCT
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eurjchem-2484	530	28	a.	a.	PROPN
eurjchem-2484	530	29	;	;	PUNCT
eurjchem-2484	530	30	cheeseman	cheeseman	PROPN
eurjchem-2484	530	31	,	,	PUNCT
eurjchem-2484	530	32	j.	j.	PROPN
eurjchem-2484	530	33	r.	r.	PROPN
eurjchem-2484	530	34	;	;	PUNCT
eurjchem-2484	530	35	montgomery	montgomery	PROPN
eurjchem-2484	530	36	,	,	PUNCT
eurjchem-2484	530	37	j.	j.	PROPN
eurjchem-2484	530	38	a.	a.	PROPN
eurjchem-2484	530	39	;	;	PUNCT
eurjchem-2484	530	40	vreven	vreven	VERB
eurjchem-2484	530	41	,	,	PUNCT
eurjchem-2484	530	42	t.	t.	PROPN
eurjchem-2484	530	43	;	;	PUNCT
eurjchem-2484	530	44	kudin	kudin	PROPN
eurjchem-2484	530	45	,	,	PUNCT
eurjchem-2484	530	46	k.	k.	PROPN
eurjchem-2484	530	47	n.	n.	PROPN
eurjchem-2484	530	48	;	;	PUNCT
eurjchem-2484	530	49	burant	burant	PROPN
eurjchem-2484	530	50	,	,	PUNCT
eurjchem-2484	530	51	j.	j.	PROPN
eurjchem-2484	530	52	c.	c.	PROPN
eurjchem-2484	530	53	;	;	PUNCT
eurjchem-2484	530	54	millam	millam	PROPN
eurjchem-2484	530	55	,	,	PUNCT
eurjchem-2484	530	56	j.	j.	PROPN
eurjchem-2484	530	57	m.	m.	PROPN
eurjchem-2484	530	58	;	;	PUNCT
eurjchem-2484	530	59	iyengar	iyengar	PROPN
eurjchem-2484	530	60	,	,	PUNCT
eurjchem-2484	530	61	s.	s.	PROPN
eurjchem-2484	530	62	s.	s.	PROPN
eurjchem-2484	530	63	;	;	PUNCT
eurjchem-2484	530	64	tomasi	tomasi	PROPN
eurjchem-2484	530	65	,	,	PUNCT
eurjchem-2484	530	66	j.	j.	PROPN
eurjchem-2484	530	67	;	;	PUNCT
eurjchem-2484	530	68	barone	barone	PROPN
eurjchem-2484	530	69	,	,	PUNCT
eurjchem-2484	530	70	v.	v.	PROPN
eurjchem-2484	530	71	;	;	PUNCT
eurjchem-2484	530	72	mennucci	mennucci	PROPN
eurjchem-2484	530	73	,	,	PUNCT
eurjchem-2484	530	74	b.	b.	PROPN
eurjchem-2484	530	75	;	;	PUNCT
eurjchem-2484	530	76	cossi	cossi	PROPN
eurjchem-2484	530	77	,	,	PUNCT
eurjchem-2484	530	78	m.	m.	NOUN
eurjchem-2484	530	79	;	;	PUNCT
eurjchem-2484	530	80	scalmani	scalmani	PROPN
eurjchem-2484	530	81	,	,	PUNCT
eurjchem-2484	530	82	g.	g.	PROPN
eurjchem-2484	530	83	;	;	PUNCT
eurjchem-2484	530	84	rega	rega	PROPN
eurjchem-2484	530	85	,	,	PUNCT
eurjchem-2484	530	86	n.	n.	NOUN
eurjchem-2484	530	87	;	;	PUNCT
eurjchem-2484	530	88	petersson	petersson	PROPN
eurjchem-2484	530	89	,	,	PUNCT
eurjchem-2484	530	90	g.	g.	PROPN
eurjchem-2484	530	91	a.	a.	PROPN
eurjchem-2484	530	92	;	;	PUNCT
eurjchem-2484	530	93	nakatsuji	nakatsuji	PROPN
eurjchem-2484	530	94	,	,	PUNCT
eurjchem-2484	530	95	h.	h.	PROPN
eurjchem-2484	530	96	;	;	PUNCT
eurjchem-2484	530	97	hada	hada	PROPN
eurjchem-2484	530	98	,	,	PUNCT
eurjchem-2484	530	99	m.	m.	NOUN
eurjchem-2484	530	100	;	;	PUNCT
eurjchem-2484	530	101	ehara	ehara	PROPN
eurjchem-2484	530	102	,	,	PUNCT
eurjchem-2484	530	103	m.	m.	NOUN
eurjchem-2484	530	104	;	;	PUNCT
eurjchem-2484	530	105	toyota	toyota	PROPN
eurjchem-2484	530	106	,	,	PUNCT
eurjchem-2484	530	107	k.	k.	PROPN
eurjchem-2484	530	108	;	;	PUNCT
eurjchem-2484	530	109	fukuda	fukuda	PROPN
eurjchem-2484	530	110	,	,	PUNCT
eurjchem-2484	530	111	r.	r.	PROPN
eurjchem-2484	530	112	;	;	PUNCT
eurjchem-2484	530	113	hasegawa	hasegawa	PROPN
eurjchem-2484	530	114	,	,	PUNCT
eurjchem-2484	530	115	j.	j.	PROPN
eurjchem-2484	530	116	;	;	PUNCT
eurjchem-2484	530	117	ishida	ishida	PROPN
eurjchem-2484	530	118	,	,	PUNCT
eurjchem-2484	530	119	m.	m.	NOUN
eurjchem-2484	530	120	;	;	PUNCT
eurjchem-2484	530	121	nakajima	nakajima	PROPN
eurjchem-2484	530	122	,	,	PUNCT
eurjchem-2484	530	123	t.	t.	PROPN
eurjchem-2484	530	124	;	;	PUNCT
eurjchem-2484	530	125	honda	honda	NOUN
eurjchem-2484	530	126	,	,	PUNCT
eurjchem-2484	530	127	y.	y.	PROPN
eurjchem-2484	530	128	;	;	PUNCT
eurjchem-2484	530	129	kitao	kitao	PROPN
eurjchem-2484	530	130	,	,	PUNCT
eurjchem-2484	530	131	o.	o.	PROPN
eurjchem-2484	530	132	;	;	PUNCT
eurjchem-2484	530	133	nakai	nakai	PROPN
eurjchem-2484	530	134	,	,	PUNCT
eurjchem-2484	530	135	h.	h.	PROPN
eurjchem-2484	530	136	;	;	PUNCT
eurjchem-2484	530	137	klene	klene	PROPN
eurjchem-2484	530	138	,	,	PUNCT
eurjchem-2484	530	139	m.	m.	NOUN
eurjchem-2484	530	140	;	;	PUNCT
eurjchem-2484	530	141	li	li	PROPN
eurjchem-2484	530	142	,	,	PUNCT
eurjchem-2484	530	143	x.	x.	PROPN
eurjchem-2484	530	144	;	;	PUNCT
eurjchem-2484	530	145	knox	knox	PROPN
eurjchem-2484	530	146	,	,	PUNCT
eurjchem-2484	530	147	j.	j.	PROPN
eurjchem-2484	530	148	e.	e.	PROPN
eurjchem-2484	530	149	;	;	PUNCT
eurjchem-2484	530	150	hratchian	hratchian	PROPN
eurjchem-2484	530	151	,	,	PUNCT
eurjchem-2484	530	152	h.	h.	PROPN
eurjchem-2484	530	153	p.	p.	PROPN
eurjchem-2484	530	154	;	;	PUNCT
eurjchem-2484	530	155	cross	cross	PROPN
eurjchem-2484	530	156	,	,	PUNCT
eurjchem-2484	530	157	j.	j.	PROPN
eurjchem-2484	530	158	b.	b.	PROPN
eurjchem-2484	530	159	;	;	PUNCT
eurjchem-2484	530	160	adamo	adamo	PROPN
eurjchem-2484	530	161	,	,	PUNCT
eurjchem-2484	530	162	c.	c.	PROPN
eurjchem-2484	530	163	;	;	PUNCT
eurjchem-2484	530	164	jaramillo	jaramillo	PROPN
eurjchem-2484	530	165	,	,	PUNCT
eurjchem-2484	530	166	j.	j.	PROPN
eurjchem-2484	530	167	;	;	PUNCT
eurjchem-2484	530	168	gomperts	gomperts	PROPN
eurjchem-2484	530	169	,	,	PUNCT
eurjchem-2484	530	170	r.	r.	PROPN
eurjchem-2484	530	171	;	;	PUNCT
eurjchem-2484	530	172	stratmann	stratmann	PROPN
eurjchem-2484	530	173	,	,	PUNCT
eurjchem-2484	530	174	r.	r.	PROPN
eurjchem-2484	530	175	e.	e.	PROPN
eurjchem-2484	530	176	;	;	PUNCT
eurjchem-2484	530	177	yazyev	yazyev	PROPN
eurjchem-2484	530	178	,	,	PUNCT
eurjchem-2484	530	179	o.	o.	PROPN
eurjchem-2484	530	180	;	;	PUNCT
eurjchem-2484	530	181	austin	austin	PROPN
eurjchem-2484	530	182	,	,	PUNCT
eurjchem-2484	530	183	a.	a.	PROPN
eurjchem-2484	530	184	j.	j.	PROPN
eurjchem-2484	530	185	;	;	PUNCT
eurjchem-2484	530	186	cammi	cammi	PROPN
eurjchem-2484	530	187	,	,	PUNCT
eurjchem-2484	530	188	r.	r.	PROPN
eurjchem-2484	530	189	;	;	PUNCT
eurjchem-2484	530	190	pomelli	pomelli	PROPN
eurjchem-2484	530	191	,	,	PUNCT
eurjchem-2484	530	192	c.	c.	NOUN
eurjchem-2484	530	193	;	;	PUNCT
eurjchem-2484	530	194	ochterski	ochterski	PROPN
eurjchem-2484	530	195	,	,	PUNCT
eurjchem-2484	530	196	j.	j.	PROPN
eurjchem-2484	530	197	w.	w.	PROPN
eurjchem-2484	530	198	;	;	PUNCT
eurjchem-2484	530	199	ayala	ayala	PROPN
eurjchem-2484	530	200	,	,	PUNCT
eurjchem-2484	530	201	p.	p.	PROPN
eurjchem-2484	530	202	y.	y.	PROPN
eurjchem-2484	530	203	;	;	PUNCT
eurjchem-2484	530	204	morokuma	morokuma	PROPN
eurjchem-2484	530	205	,	,	PUNCT
eurjchem-2484	530	206	k.	k.	PROPN
eurjchem-2484	530	207	;	;	PUNCT
eurjchem-2484	530	208	voth	voth	PROPN
eurjchem-2484	530	209	,	,	PUNCT
eurjchem-2484	530	210	g.	g.	PROPN
eurjchem-2484	530	211	a.	a.	PROPN
eurjchem-2484	530	212	;	;	PUNCT
eurjchem-2484	530	213	salvador	salvador	PROPN
eurjchem-2484	530	214	,	,	PUNCT
eurjchem-2484	530	215	p.	p.	PROPN
eurjchem-2484	530	216	;	;	PUNCT
eurjchem-2484	530	217	dannenberg	dannenberg	PROPN
eurjchem-2484	530	218	,	,	PUNCT
eurjchem-2484	530	219	j.	j.	PROPN
eurjchem-2484	530	220	j.	j.	PROPN
eurjchem-2484	530	221	;	;	PUNCT
eurjchem-2484	530	222	zakrzewski	zakrzewski	PROPN
eurjchem-2484	530	223	,	,	PUNCT
eurjchem-2484	530	224	v.	v.	PROPN
eurjchem-2484	530	225	g.	g.	PROPN
eurjchem-2484	530	226	;	;	PUNCT
eurjchem-2484	530	227	dapprich	dapprich	PROPN
eurjchem-2484	530	228	,	,	PUNCT
eurjchem-2484	530	229	s.	s.	PROPN
eurjchem-2484	530	230	;	;	PUNCT
eurjchem-2484	530	231	daniels	daniels	PROPN
eurjchem-2484	530	232	,	,	PUNCT
eurjchem-2484	530	233	a.	a.	PROPN
eurjchem-2484	530	234	d.	d.	PROPN
eurjchem-2484	530	235	;	;	PUNCT
eurjchem-2484	530	236	strain	strain	NOUN
eurjchem-2484	530	237	,	,	PUNCT
eurjchem-2484	530	238	m.	m.	NOUN
eurjchem-2484	530	239	c.	c.	PROPN
eurjchem-2484	530	240	;	;	PUNCT
eurjchem-2484	530	241	farkas	farkas	PROPN
eurjchem-2484	530	242	,	,	PUNCT
eurjchem-2484	530	243	o.	o.	PROPN
eurjchem-2484	530	244	;	;	PUNCT
eurjchem-2484	530	245	malick	malick	PROPN
eurjchem-2484	530	246	,	,	PUNCT
eurjchem-2484	530	247	d.	d.	PROPN
eurjchem-2484	530	248	k.	k.	PROPN
eurjchem-2484	530	249	;	;	PUNCT
eurjchem-2484	530	250	rabuck	rabuck	VERB
eurjchem-2484	530	251	,	,	PUNCT
eurjchem-2484	530	252	a.	a.	PROPN
eurjchem-2484	530	253	d.	d.	PROPN
eurjchem-2484	530	254	;	;	PUNCT
eurjchem-2484	530	255	raghavachari	raghavachari	PROPN
eurjchem-2484	530	256	,	,	PUNCT
eurjchem-2484	530	257	k	k	PROPN
eurjchem-2484	530	258	;	;	PUNCT
eurjchem-2484	530	259	foresman	foresman	PROPN
eurjchem-2484	530	260	,	,	PUNCT
eurjchem-2484	530	261	j.	j.	PROPN
eurjchem-2484	530	262	b.	b.	PROPN
eurjchem-2484	530	263	;	;	PUNCT
eurjchem-2484	530	264	ortiz	ortiz	PROPN
eurjchem-2484	530	265	,	,	PUNCT
eurjchem-2484	530	266	j.	j.	PROPN
eurjchem-2484	530	267	v.	v.	PROPN
eurjchem-2484	530	268	;	;	PUNCT
eurjchem-2484	530	269	cui	cui	PROPN
eurjchem-2484	530	270	,	,	PUNCT
eurjchem-2484	530	271	q.	q.	PROPN
eurjchem-2484	530	272	;	;	PUNCT
eurjchem-2484	530	273	baboul	baboul	ADJ
eurjchem-2484	530	274	,	,	PUNCT
eurjchem-2484	530	275	a.	a.	NOUN
eurjchem-2484	530	276	g.	g.	PROPN
eurjchem-2484	530	277	;	;	PUNCT
eurjchem-2484	530	278	clifford	clifford	PROPN
eurjchem-2484	530	279	,	,	PUNCT
eurjchem-2484	530	280	s.	s.	PROPN
eurjchem-2484	530	281	;	;	PUNCT
eurjchem-2484	530	282	cioslowski	cioslowski	PROPN
eurjchem-2484	530	283	,	,	PUNCT
eurjchem-2484	530	284	j.	j.	PROPN
eurjchem-2484	530	285	;	;	PUNCT
eurjchem-2484	530	286	stefanov	stefanov	PROPN
eurjchem-2484	530	287	,	,	PUNCT
eurjchem-2484	530	288	b.	b.	PROPN
eurjchem-2484	530	289	b.	b.	PROPN
eurjchem-2484	530	290	;	;	PUNCT
eurjchem-2484	530	291	liu	liu	PROPN
eurjchem-2484	530	292	,	,	PUNCT
eurjchem-2484	530	293	g.	g.	PROPN
eurjchem-2484	530	294	;	;	PUNCT
eurjchem-2484	530	295	liashenko	liashenko	PROPN
eurjchem-2484	530	296	,	,	PUNCT
eurjchem-2484	530	297	a.	a.	NOUN
eurjchem-2484	530	298	;	;	PUNCT
eurjchem-2484	530	299	piskorz	piskorz	PROPN
eurjchem-2484	530	300	,	,	PUNCT
eurjchem-2484	530	301	p.	p.	NOUN
eurjchem-2484	530	302	;	;	PUNCT
eurjchem-2484	530	303	komaromi	komaromi	NOUN
eurjchem-2484	530	304	,	,	PUNCT
eurjchem-2484	530	305	i.	i.	NOUN
eurjchem-2484	530	306	;	;	PUNCT
eurjchem-2484	530	307	martin	martin	PROPN
eurjchem-2484	530	308	,	,	PUNCT
eurjchem-2484	530	309	r.	r.	PROPN
eurjchem-2484	530	310	l.	l.	PROPN
eurjchem-2484	530	311	;	;	PUNCT
eurjchem-2484	530	312	fox	fox	PROPN
eurjchem-2484	530	313	,	,	PUNCT
eurjchem-2484	530	314	d.	d.	PROPN
eurjchem-2484	530	315	j.	j.	PROPN
eurjchem-2484	530	316	;	;	PUNCT
eurjchem-2484	530	317	keith	keith	PROPN
eurjchem-2484	530	318	,	,	PUNCT
eurjchem-2484	530	319	t.	t.	PROPN
eurjchem-2484	530	320	;	;	PUNCT
eurjchem-2484	530	321	al	al	PROPN
eurjchem-2484	530	322	-	-	PUNCT
eurjchem-2484	530	323	laham	laham	PROPN
eurjchem-2484	530	324	,	,	PUNCT
eurjchem-2484	530	325	m.	m.	NOUN
eurjchem-2484	530	326	a.	a.	PROPN
eurjchem-2484	530	327	;	;	PUNCT
eurjchem-2484	531	1	peng	peng	PROPN
eurjchem-2484	531	2	,	,	PUNCT
eurjchem-2484	531	3	c.	c.	PROPN
eurjchem-2484	531	4	y.	y.	PROPN
eurjchem-2484	531	5	;	;	PUNCT
eurjchem-2484	531	6	nanayakkara	nanayakkara	PROPN
eurjchem-2484	531	7	,	,	PUNCT
eurjchem-2484	531	8	a.	a.	NOUN
eurjchem-2484	531	9	;	;	PUNCT
eurjchem-2484	531	10	challacombe	challacombe	ADJ
eurjchem-2484	531	11	,	,	PUNCT
eurjchem-2484	531	12	m.	m.	NOUN
eurjchem-2484	531	13	;	;	PUNCT
eurjchem-2484	531	14	gill	gill	PROPN
eurjchem-2484	531	15	,	,	PUNCT
eurjchem-2484	531	16	p.	p.	PROPN
eurjchem-2484	531	17	m.	m.	PROPN
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eurjchem-2484	531	19	;	;	PUNCT
eurjchem-2484	531	20	johnson	johnson	PROPN
eurjchem-2484	531	21	,	,	PUNCT
eurjchem-2484	531	22	b.	b.	PROPN
eurjchem-2484	531	23	;	;	PUNCT
eurjchem-2484	531	24	chen	chen	PROPN
eurjchem-2484	531	25	,	,	PUNCT
eurjchem-2484	531	26	w.	w.	PROPN
eurjchem-2484	531	27	;	;	PUNCT
eurjchem-2484	531	28	wong	wong	PROPN
eurjchem-2484	531	29	,	,	PUNCT
eurjchem-2484	531	30	m.	m.	PROPN
eurjchem-2484	531	31	w.	w.	PROPN
eurjchem-2484	531	32	;	;	PUNCT
eurjchem-2484	531	33	gonzalez	gonzalez	PROPN
eurjchem-2484	531	34	,	,	PUNCT
eurjchem-2484	531	35	c.	c.	PROPN
eurjchem-2484	531	36	;	;	PUNCT
eurjchem-2484	531	37	pople	pople	PROPN
eurjchem-2484	531	38	,	,	PUNCT
eurjchem-2484	531	39	j.	j.	PROPN
eurjchem-2484	531	40	a.	a.	PROPN
eurjchem-2484	531	41	gaussian	gaussian	PROPN
eurjchem-2484	531	42	09	09	NUM
eurjchem-2484	531	43	,	,	PUNCT
eurjchem-2484	531	44	revision	revision	NOUN
eurjchem-2484	531	45	a.02	a.02	PROPN
eurjchem-2484	531	46	,	,	PUNCT
eurjchem-2484	531	47	gaussian	gaussian	PROPN
eurjchem-2484	531	48	,	,	PUNCT
eurjchem-2484	531	49	inc	inc	PROPN
eurjchem-2484	531	50	.	.	PROPN
eurjchem-2484	531	51	,	,	PUNCT
eurjchem-2484	531	52	wallingford	wallingford	PROPN
eurjchem-2484	531	53	ct	ct	PROPN
eurjchem-2484	531	54	,	,	PUNCT
eurjchem-2484	531	55	2009	2009	NUM
eurjchem-2484	531	56	.	.	PUNCT
eurjchem-2484	532	1	[	[	X
eurjchem-2484	532	2	21	21	NUM
eurjchem-2484	532	3	]	]	PUNCT
eurjchem-2484	532	4	.	.	PUNCT
eurjchem-2484	533	1	dennington	dennington	PROPN
eurjchem-2484	533	2	,	,	PUNCT
eurjchem-2484	533	3	r.	r.	PROPN
eurjchem-2484	533	4	;	;	PUNCT
eurjchem-2484	533	5	keith	keith	PROPN
eurjchem-2484	533	6	,	,	PUNCT
eurjchem-2484	533	7	t.	t.	PROPN
eurjchem-2484	533	8	a.	a.	NOUN
eurjchem-2484	533	9	;	;	PUNCT
eurjchem-2484	533	10	millam	millam	PROPN
eurjchem-2484	533	11	,	,	PUNCT
eurjchem-2484	533	12	j.	j.	PROPN
eurjchem-2484	533	13	m.	m.	PROPN
eurjchem-2484	533	14	gaussview	gaussview	PROPN
eurjchem-2484	533	15	,	,	PUNCT
eurjchem-2484	533	16	version	version	NOUN
eurjchem-2484	533	17	6	6	NUM
eurjchem-2484	533	18	,	,	PUNCT
eurjchem-2484	533	19	semichem	semichem	PROPN
eurjchem-2484	533	20	inc	inc	PROPN
eurjchem-2484	533	21	.	.	PROPN
eurjchem-2484	533	22	;	;	PUNCT
eurjchem-2484	533	23	shawnee	shawnee	NOUN
eurjchem-2484	533	24	mission	mission	NOUN
eurjchem-2484	533	25	,	,	PUNCT
eurjchem-2484	533	26	ks	ks	NOUN
eurjchem-2484	533	27	,	,	PUNCT
eurjchem-2484	533	28	2016	2016	NUM
eurjchem-2484	533	29	.	.	PUNCT
eurjchem-2484	534	1	[	[	X
eurjchem-2484	534	2	22	22	NUM
eurjchem-2484	534	3	]	]	PUNCT
eurjchem-2484	534	4	.	.	PUNCT
eurjchem-2484	535	1	becke	becke	NOUN
eurjchem-2484	535	2	,	,	PUNCT
eurjchem-2484	535	3	a.	a.	PROPN
eurjchem-2484	535	4	d.	d.	PROPN
eurjchem-2484	535	5	a	a	DET
eurjchem-2484	535	6	new	new	ADJ
eurjchem-2484	535	7	mixing	mixing	NOUN
eurjchem-2484	535	8	of	of	ADP
eurjchem-2484	535	9	hartree	hartree	ADJ
eurjchem-2484	535	10	–	–	PUNCT
eurjchem-2484	535	11	fock	fock	ADJ
eurjchem-2484	535	12	and	and	CCONJ
eurjchem-2484	535	13	local	local	ADJ
eurjchem-2484	535	14	densityfunctional	densityfunctional	ADJ
eurjchem-2484	535	15	theories	theory	NOUN
eurjchem-2484	535	16	.	.	PUNCT
eurjchem-2484	536	1	j.	j.	PROPN
eurjchem-2484	536	2	chem	chem	PROPN
eurjchem-2484	536	3	.	.	PUNCT
eurjchem-2484	537	1	phys	phy	NOUN
eurjchem-2484	537	2	.	.	PUNCT
eurjchem-2484	538	1	1993	1993	NUM
eurjchem-2484	538	2	,	,	PUNCT
eurjchem-2484	538	3	98	98	NUM
eurjchem-2484	538	4	,	,	PUNCT
eurjchem-2484	538	5	1372–1377	1372–1377	NUM
eurjchem-2484	538	6	.	.	PUNCT
eurjchem-2484	539	1	[	[	X
eurjchem-2484	539	2	23	23	NUM
eurjchem-2484	539	3	]	]	PUNCT
eurjchem-2484	539	4	.	.	PUNCT
eurjchem-2484	540	1	becke	becke	NOUN
eurjchem-2484	540	2	,	,	PUNCT
eurjchem-2484	540	3	a.	a.	PROPN
eurjchem-2484	540	4	d.	d.	PROPN
eurjchem-2484	540	5	density	density	PROPN
eurjchem-2484	540	6	-	-	PUNCT
eurjchem-2484	540	7	functional	functional	ADJ
eurjchem-2484	540	8	exchange	exchange	NOUN
eurjchem-2484	540	9	-	-	PUNCT
eurjchem-2484	540	10	energy	energy	NOUN
eurjchem-2484	540	11	approximation	approximation	NOUN
eurjchem-2484	540	12	with	with	ADP
eurjchem-2484	540	13	correct	correct	ADJ
eurjchem-2484	540	14	asymptotic	asymptotic	ADJ
eurjchem-2484	540	15	behavior	behavior	NOUN
eurjchem-2484	540	16	.	.	PUNCT
eurjchem-2484	541	1	phys	phy	NOUN
eurjchem-2484	541	2	.	.	PUNCT
eurjchem-2484	542	1	rev	rev	PROPN
eurjchem-2484	542	2	.	.	PROPN
eurjchem-2484	543	1	a	a	DET
eurjchem-2484	543	2	gen	gen	PROPN
eurjchem-2484	543	3	.	.	PROPN
eurjchem-2484	543	4	phys	phys	PROPN
eurjchem-2484	543	5	.	.	PUNCT
eurjchem-2484	544	1	1988	1988	NUM
eurjchem-2484	544	2	,	,	PUNCT
eurjchem-2484	544	3	38	38	NUM
eurjchem-2484	544	4	,	,	PUNCT
eurjchem-2484	544	5	3098	3098	NUM
eurjchem-2484	544	6	–	–	PUNCT
eurjchem-2484	544	7	3100	3100	NUM
eurjchem-2484	544	8	.	.	PUNCT
eurjchem-2484	545	1	[	[	X
eurjchem-2484	545	2	24	24	NUM
eurjchem-2484	545	3	]	]	PUNCT
eurjchem-2484	545	4	.	.	PUNCT
eurjchem-2484	546	1	lu	lu	PROPN
eurjchem-2484	546	2	,	,	PUNCT
eurjchem-2484	546	3	t.	t.	PROPN
eurjchem-2484	546	4	;	;	PUNCT
eurjchem-2484	546	5	chen	chen	PROPN
eurjchem-2484	546	6	,	,	PUNCT
eurjchem-2484	546	7	f.	f.	PROPN
eurjchem-2484	546	8	multiwfn	multiwfn	PROPN
eurjchem-2484	546	9	:	:	PUNCT
eurjchem-2484	546	10	a	a	DET
eurjchem-2484	546	11	multifunctional	multifunctional	ADJ
eurjchem-2484	546	12	wavefunction	wavefunction	NOUN
eurjchem-2484	546	13	analyzer	analyzer	NOUN
eurjchem-2484	546	14	.	.	PUNCT
eurjchem-2484	547	1	j.	j.	PROPN
eurjchem-2484	547	2	comput	comput	PROPN
eurjchem-2484	547	3	.	.	PUNCT
eurjchem-2484	548	1	chem	chem	PROPN
eurjchem-2484	548	2	.	.	PUNCT
eurjchem-2484	549	1	2012	2012	NUM
eurjchem-2484	549	2	,	,	PUNCT
eurjchem-2484	549	3	33	33	NUM
eurjchem-2484	549	4	,	,	PUNCT
eurjchem-2484	549	5	580–592	580–592	NUM
eurjchem-2484	549	6	.	.	PUNCT
eurjchem-2484	550	1	[	[	X
eurjchem-2484	550	2	25	25	NUM
eurjchem-2484	550	3	]	]	PUNCT
eurjchem-2484	550	4	.	.	PUNCT
eurjchem-2484	551	1	johnson	johnson	PROPN
eurjchem-2484	551	2	,	,	PUNCT
eurjchem-2484	551	3	c.	c.	PROPN
eurjchem-2484	551	4	k.	k.	PROPN
eurjchem-2484	551	5	(	(	PUNCT
eurjchem-2484	551	6	1976	1976	NUM
eurjchem-2484	551	7	)	)	PUNCT
eurjchem-2484	551	8	.	.	PUNCT
eurjchem-2484	552	1	ortepii	ortepii	PROPN
eurjchem-2484	552	2	.	.	PUNCT
eurjchem-2484	553	1	report	report	NOUN
eurjchem-2484	553	2	ornl-5138	ornl-5138	NOUN
eurjchem-2484	553	3	.	.	PUNCT
eurjchem-2484	554	1	oak	oak	PROPN
eurjchem-2484	554	2	ridge	ridge	PROPN
eurjchem-2484	554	3	national	national	PROPN
eurjchem-2484	554	4	laboratory	laboratory	PROPN
eurjchem-2484	554	5	,	,	PUNCT
eurjchem-2484	554	6	tennessee	tennessee	PROPN
eurjchem-2484	554	7	,	,	PUNCT
eurjchem-2484	554	8	usa	usa	PROPN
eurjchem-2484	554	9	.	.	PUNCT
eurjchem-2484	555	1	[	[	X
eurjchem-2484	555	2	26	26	NUM
eurjchem-2484	555	3	]	]	PUNCT
eurjchem-2484	555	4	.	.	PUNCT
eurjchem-2484	556	1	panicker	panicker	PROPN
eurjchem-2484	556	2	,	,	PUNCT
eurjchem-2484	556	3	l.	l.	PROPN
eurjchem-2484	556	4	;	;	PUNCT
eurjchem-2484	556	5	thomas	thomas	PROPN
eurjchem-2484	556	6	,	,	PUNCT
eurjchem-2484	556	7	s.	s.	PROPN
eurjchem-2484	556	8	p.	p.	PROPN
eurjchem-2484	556	9	;	;	PUNCT
eurjchem-2484	556	10	wadawale	wadawale	PROPN
eurjchem-2484	556	11	,	,	PUNCT
eurjchem-2484	556	12	a.	a.	NOUN
eurjchem-2484	556	13	;	;	PUNCT
eurjchem-2484	556	14	girija	girija	PROPN
eurjchem-2484	556	15	,	,	PUNCT
eurjchem-2484	556	16	k.	k.	PROPN
eurjchem-2484	556	17	g.	g.	PROPN
eurjchem-2484	556	18	;	;	PUNCT
eurjchem-2484	556	19	row	row	NOUN
eurjchem-2484	556	20	,	,	PUNCT
eurjchem-2484	556	21	t.	t.	PROPN
eurjchem-2484	556	22	n.	n.	PROPN
eurjchem-2484	556	23	g.	g.	PROPN
eurjchem-2484	556	24	reversible	reversible	ADJ
eurjchem-2484	556	25	order	order	NOUN
eurjchem-2484	556	26	-	-	PUNCT
eurjchem-2484	556	27	disorder	disorder	NOUN
eurjchem-2484	556	28	phase	phase	NOUN
eurjchem-2484	556	29	transition	transition	NOUN
eurjchem-2484	556	30	and	and	CCONJ
eurjchem-2484	556	31	interaction	interaction	NOUN
eurjchem-2484	556	32	topology	topology	NOUN
eurjchem-2484	556	33	in	in	ADP
eurjchem-2484	556	34	4	4	NUM
eurjchem-2484	556	35	-	-	PUNCT
eurjchem-2484	556	36	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	556	37	nitrate	nitrate	NOUN
eurjchem-2484	556	38	.	.	PUNCT
eurjchem-2484	557	1	j.	j.	PROPN
eurjchem-2484	557	2	mol	mol	PROPN
eurjchem-2484	557	3	.	.	PROPN
eurjchem-2484	557	4	struct	struct	NOUN
eurjchem-2484	557	5	.	.	PUNCT
eurjchem-2484	557	6	2021	2021	NUM
eurjchem-2484	557	7	,	,	PUNCT
eurjchem-2484	557	8	1227	1227	NUM
eurjchem-2484	557	9	,	,	PUNCT
eurjchem-2484	557	10	129542	129542	NUM
eurjchem-2484	557	11	.	.	PUNCT
eurjchem-2484	558	1	[	[	X
eurjchem-2484	558	2	27	27	NUM
eurjchem-2484	558	3	]	]	PUNCT
eurjchem-2484	558	4	.	.	PUNCT
eurjchem-2484	559	1	benali	benali	PROPN
eurjchem-2484	559	2	-	-	PUNCT
eurjchem-2484	559	3	cherif	cherif	PROPN
eurjchem-2484	559	4	,	,	PUNCT
eurjchem-2484	559	5	n.	n.	PROPN
eurjchem-2484	559	6	;	;	PUNCT
eurjchem-2484	559	7	direm	direm	PROPN
eurjchem-2484	559	8	,	,	PUNCT
eurjchem-2484	559	9	a.	a.	NOUN
eurjchem-2484	559	10	;	;	PUNCT
eurjchem-2484	559	11	allouche	allouche	PROPN
eurjchem-2484	559	12	,	,	PUNCT
eurjchem-2484	559	13	f.	f.	PROPN
eurjchem-2484	559	14	;	;	PUNCT
eurjchem-2484	559	15	boukli	boukli	NOUN
eurjchem-2484	559	16	-	-	PUNCT
eurjchem-2484	559	17	h	h	NOUN
eurjchem-2484	559	18	-	-	PUNCT
eurjchem-2484	559	19	benmenni	benmenni	PROPN
eurjchem-2484	559	20	,	,	PUNCT
eurjchem-2484	559	21	l.	l.	PROPN
eurjchem-2484	559	22	;	;	PUNCT
eurjchem-2484	559	23	soudani	soudani	PROPN
eurjchem-2484	559	24	,	,	PUNCT
eurjchem-2484	559	25	k.	k.	PROPN
eurjchem-2484	559	26	4	4	NUM
eurjchem-2484	559	27	-	-	PUNCT
eurjchem-2484	559	28	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	559	29	hydrogensulfate	hydrogensulfate	NOUN
eurjchem-2484	559	30	.	.	PUNCT
eurjchem-2484	560	1	acta	acta	PROPN
eurjchem-2484	560	2	crystallogr	crystallogr	PROPN
eurjchem-2484	560	3	.	.	PUNCT
eurjchem-2484	561	1	sect	sect	NOUN
eurjchem-2484	561	2	.	.	PUNCT
eurjchem-2484	562	1	e	e	NOUN
eurjchem-2484	562	2	struct	struct	NOUN
eurjchem-2484	562	3	.	.	PUNCT
eurjchem-2484	563	1	rep	rep	PROPN
eurjchem-2484	563	2	.	.	PROPN
eurjchem-2484	563	3	online	online	ADJ
eurjchem-2484	563	4	2007	2007	NUM
eurjchem-2484	563	5	,	,	PUNCT
eurjchem-2484	563	6	63	63	NUM
eurjchem-2484	563	7	,	,	PUNCT
eurjchem-2484	563	8	o2054	o2054	NOUN
eurjchem-2484	563	9	–	–	PUNCT
eurjchem-2484	563	10	o2056	o2056	NOUN
eurjchem-2484	563	11	.	.	PUNCT
eurjchem-2484	564	1	[	[	X
eurjchem-2484	564	2	28	28	NUM
eurjchem-2484	564	3	]	]	PUNCT
eurjchem-2484	564	4	.	.	PUNCT
eurjchem-2484	565	1	świsłocka	świsłocka	PROPN
eurjchem-2484	565	2	,	,	PUNCT
eurjchem-2484	565	3	r.	r.	PROPN
eurjchem-2484	565	4	;	;	PUNCT
eurjchem-2484	565	5	samsonowicz	samsonowicz	NOUN
eurjchem-2484	565	6	,	,	PUNCT
eurjchem-2484	565	7	m.	m.	NOUN
eurjchem-2484	565	8	;	;	PUNCT
eurjchem-2484	565	9	regulska	regulska	PROPN
eurjchem-2484	565	10	,	,	PUNCT
eurjchem-2484	565	11	e.	e.	PROPN
eurjchem-2484	565	12	;	;	PUNCT
eurjchem-2484	565	13	lewandowski	lewandowski	PROPN
eurjchem-2484	565	14	,	,	PUNCT
eurjchem-2484	565	15	w.	w.	PROPN
eurjchem-2484	565	16	molecular	molecular	ADJ
eurjchem-2484	565	17	structure	structure	NOUN
eurjchem-2484	565	18	of	of	ADP
eurjchem-2484	565	19	4	4	NUM
eurjchem-2484	565	20	-	-	PUNCT
eurjchem-2484	565	21	aminobenzoic	aminobenzoic	ADJ
eurjchem-2484	565	22	acid	acid	NOUN
eurjchem-2484	565	23	salts	salt	NOUN
eurjchem-2484	565	24	with	with	ADP
eurjchem-2484	565	25	alkali	alkali	ADJ
eurjchem-2484	565	26	metals	metal	NOUN
eurjchem-2484	565	27	.	.	PUNCT
eurjchem-2484	566	1	j.	j.	PROPN
eurjchem-2484	566	2	mol	mol	PROPN
eurjchem-2484	566	3	.	.	PROPN
eurjchem-2484	566	4	struct	struct	NOUN
eurjchem-2484	566	5	.	.	PUNCT
eurjchem-2484	567	1	2006	2006	NUM
eurjchem-2484	567	2	,	,	PUNCT
eurjchem-2484	567	3	792–793	792–793	NUM
eurjchem-2484	567	4	,	,	PUNCT
eurjchem-2484	567	5	227–238	227–238	NUM
eurjchem-2484	567	6	.	.	PUNCT
eurjchem-2484	568	1	[	[	X
eurjchem-2484	568	2	29	29	NUM
eurjchem-2484	568	3	]	]	PUNCT
eurjchem-2484	568	4	.	.	PUNCT
eurjchem-2484	569	1	samsonowicz	samsonowicz	NOUN
eurjchem-2484	569	2	,	,	PUNCT
eurjchem-2484	569	3	m.	m.	NOUN
eurjchem-2484	569	4	;	;	PUNCT
eurjchem-2484	569	5	hrynaszkiewicz	hrynaszkiewicz	NOUN
eurjchem-2484	569	6	,	,	PUNCT
eurjchem-2484	569	7	t.	t.	PROPN
eurjchem-2484	569	8	;	;	PUNCT
eurjchem-2484	569	9	świsłocka	świsłocka	PROPN
eurjchem-2484	569	10	,	,	PUNCT
eurjchem-2484	569	11	r.	r.	PROPN
eurjchem-2484	569	12	;	;	PUNCT
eurjchem-2484	569	13	regulska	regulska	PROPN
eurjchem-2484	569	14	,	,	PUNCT
eurjchem-2484	569	15	e.	e.	PROPN
eurjchem-2484	569	16	;	;	PUNCT
eurjchem-2484	569	17	lewandowski	lewandowski	PROPN
eurjchem-2484	569	18	,	,	PUNCT
eurjchem-2484	569	19	w.	w.	PROPN
eurjchem-2484	569	20	experimental	experimental	PROPN
eurjchem-2484	569	21	and	and	CCONJ
eurjchem-2484	569	22	theoretical	theoretical	ADJ
eurjchem-2484	569	23	ir	ir	PROPN
eurjchem-2484	569	24	,	,	PUNCT
eurjchem-2484	569	25	raman	raman	NOUN
eurjchem-2484	569	26	,	,	PUNCT
eurjchem-2484	569	27	nmr	nmr	NOUN
eurjchem-2484	569	28	spectra	spectra	NOUN
eurjchem-2484	569	29	of	of	ADP
eurjchem-2484	569	30	2-	2-	PROPN
eurjchem-2484	569	31	,	,	PUNCT
eurjchem-2484	569	32	3and	3and	NUM
eurjchem-2484	569	33	4	4	NUM
eurjchem-2484	569	34	-	-	PUNCT
eurjchem-2484	569	35	aminobenzoic	aminobenzoic	NOUN
eurjchem-2484	569	36	acids	acid	NOUN
eurjchem-2484	569	37	.	.	PUNCT
eurjchem-2484	570	1	j.	j.	PROPN
eurjchem-2484	570	2	mol	mol	PROPN
eurjchem-2484	570	3	.	.	PROPN
eurjchem-2484	570	4	struct	struct	NOUN
eurjchem-2484	570	5	.	.	PUNCT
eurjchem-2484	571	1	2005	2005	NUM
eurjchem-2484	571	2	,	,	PUNCT
eurjchem-2484	571	3	744	744	NUM
eurjchem-2484	571	4	–	–	PUNCT
eurjchem-2484	571	5	747	747	NUM
eurjchem-2484	571	6	,	,	PUNCT
eurjchem-2484	571	7	345–352	345–352	NUM
eurjchem-2484	571	8	.	.	PUNCT
eurjchem-2484	572	1	[	[	X
eurjchem-2484	572	2	30	30	NUM
eurjchem-2484	572	3	]	]	PUNCT
eurjchem-2484	572	4	.	.	PUNCT
eurjchem-2484	573	1	versányi	versányi	PROPN
eurjchem-2484	573	2	,	,	PUNCT
eurjchem-2484	573	3	g.	g.	PROPN
eurjchem-2484	573	4	assignments	assignment	NOUN
eurjchem-2484	573	5	for	for	ADP
eurjchem-2484	573	6	vibrational	vibrational	ADJ
eurjchem-2484	573	7	spectra	spectra	NOUN
eurjchem-2484	573	8	of	of	ADP
eurjchem-2484	573	9	700	700	NUM
eurjchem-2484	573	10	benzene	benzene	NOUN
eurjchem-2484	573	11	derivatives	derivative	NOUN
eurjchem-2484	573	12	,	,	PUNCT
eurjchem-2484	573	13	akademiai	akademiai	PROPN
eurjchem-2484	573	14	kiado	kiado	PROPN
eurjchem-2484	573	15	,	,	PUNCT
eurjchem-2484	573	16	budapest	budapest	PROPN
eurjchem-2484	573	17	,	,	PUNCT
eurjchem-2484	573	18	hungary	hungary	PROPN
eurjchem-2484	573	19	,	,	PUNCT
eurjchem-2484	573	20	1973	1973	NUM
eurjchem-2484	573	21	.	.	PUNCT
eurjchem-2484	574	1	[	[	X
eurjchem-2484	574	2	31	31	NUM
eurjchem-2484	574	3	]	]	PUNCT
eurjchem-2484	574	4	.	.	PUNCT
eurjchem-2484	575	1	nakamoto	nakamoto	PROPN
eurjchem-2484	575	2	,	,	PUNCT
eurjchem-2484	575	3	k.	k.	PROPN
eurjchem-2484	575	4	infrared	infrared	PROPN
eurjchem-2484	575	5	and	and	CCONJ
eurjchem-2484	575	6	raman	raman	ADJ
eurjchem-2484	575	7	spectra	spectra	NOUN
eurjchem-2484	575	8	of	of	ADP
eurjchem-2484	575	9	inorganic	inorganic	ADJ
eurjchem-2484	575	10	and	and	CCONJ
eurjchem-2484	575	11	coordination	coordination	NOUN
eurjchem-2484	575	12	compounds	compound	NOUN
eurjchem-2484	575	13	:	:	PUNCT
eurjchem-2484	575	14	part	part	NOUN
eurjchem-2484	575	15	a	a	DET
eurjchem-2484	575	16	:	:	PUNCT
eurjchem-2484	575	17	theory	theory	NOUN
eurjchem-2484	575	18	and	and	CCONJ
eurjchem-2484	575	19	applications	application	NOUN
eurjchem-2484	575	20	in	in	ADP
eurjchem-2484	575	21	inorganic	inorganic	ADJ
eurjchem-2484	575	22	chemistry	chemistry	NOUN
eurjchem-2484	575	23	;	;	PUNCT
eurjchem-2484	575	24	wiley	wiley	PROPN
eurjchem-2484	575	25	:	:	PUNCT
eurjchem-2484	576	1	hoboken	hoboken	PROPN
eurjchem-2484	576	2	,	,	PUNCT
eurjchem-2484	576	3	nj	nj	PROPN
eurjchem-2484	576	4	,	,	PUNCT
eurjchem-2484	576	5	usa	usa	PROPN
eurjchem-2484	576	6	,	,	PUNCT
eurjchem-2484	576	7	2008	2008	NUM
eurjchem-2484	576	8	.	.	PUNCT
eurjchem-2484	577	1	[	[	X
eurjchem-2484	577	2	32	32	NUM
eurjchem-2484	577	3	]	]	PUNCT
eurjchem-2484	577	4	.	.	PUNCT
eurjchem-2484	578	1	oubouaza	oubouaza	PROPN
eurjchem-2484	578	2	,	,	PUNCT
eurjchem-2484	578	3	r.	r.	PROPN
eurjchem-2484	578	4	;	;	PUNCT
eurjchem-2484	578	5	benson	benson	PROPN
eurjchem-2484	578	6	,	,	PUNCT
eurjchem-2484	578	7	m.	m.	NOUN
eurjchem-2484	578	8	;	;	PUNCT
eurjchem-2484	578	9	wojciechowski	wojciechowski	PROPN
eurjchem-2484	578	10	,	,	PUNCT
eurjchem-2484	578	11	j.	j.	PROPN
eurjchem-2484	578	12	;	;	PUNCT
eurjchem-2484	578	13	chtita	chtita	PROPN
eurjchem-2484	578	14	,	,	PUNCT
eurjchem-2484	578	15	s.	s.	PROPN
eurjchem-2484	578	16	;	;	PUNCT
eurjchem-2484	578	17	tridane	tridane	NOUN
eurjchem-2484	578	18	,	,	PUNCT
eurjchem-2484	578	19	m.	m.	NOUN
eurjchem-2484	578	20	;	;	PUNCT
eurjchem-2484	578	21	belaaouad	belaaouad	PROPN
eurjchem-2484	578	22	,	,	PUNCT
eurjchem-2484	578	23	s.	s.	PROPN
eurjchem-2484	578	24	synthesis	synthesis	PROPN
eurjchem-2484	578	25	,	,	PUNCT
eurjchem-2484	578	26	crystal	crystal	NOUN
eurjchem-2484	578	27	structure	structure	NOUN
eurjchem-2484	578	28	,	,	PUNCT
eurjchem-2484	578	29	vibrational	vibrational	ADJ
eurjchem-2484	578	30	study	study	NOUN
eurjchem-2484	578	31	and	and	CCONJ
eurjchem-2484	578	32	dft	dft	PROPN
eurjchem-2484	578	33	computation	computation	NOUN
eurjchem-2484	578	34	of	of	ADP
eurjchem-2484	578	35	barium	barium	NOUN
eurjchem-2484	578	36	dihydrogenomonophosphate	dihydrogenomonophosphate	ADJ
eurjchem-2484	578	37	ba(h2po4)2	ba(h2po4)2	PROPN
eurjchem-2484	578	38	.	.	PUNCT
eurjchem-2484	579	1	biointerface	biointerface	NOUN
eurjchem-2484	579	2	res	re	NOUN
eurjchem-2484	579	3	.	.	PUNCT
eurjchem-2484	580	1	appl	appl	PROPN
eurjchem-2484	580	2	.	.	PUNCT
eurjchem-2484	581	1	chem	chem	PROPN
eurjchem-2484	581	2	.	.	PUNCT
eurjchem-2484	582	1	2021	2021	NUM
eurjchem-2484	582	2	,	,	PUNCT
eurjchem-2484	582	3	12	12	NUM
eurjchem-2484	582	4	,	,	PUNCT
eurjchem-2484	582	5	1120–1133	1120–1133	NUM
eurjchem-2484	582	6	.	.	PUNCT
eurjchem-2484	583	1	[	[	X
eurjchem-2484	583	2	33	33	NUM
eurjchem-2484	583	3	]	]	PUNCT
eurjchem-2484	583	4	.	.	PUNCT
eurjchem-2484	584	1	robertson	robertson	PROPN
eurjchem-2484	584	2	,	,	PUNCT
eurjchem-2484	584	3	w.	w.	PROPN
eurjchem-2484	584	4	h.	h.	PROPN
eurjchem-2484	584	5	;	;	PUNCT
eurjchem-2484	584	6	johnson	johnson	PROPN
eurjchem-2484	584	7	,	,	PUNCT
eurjchem-2484	584	8	m.	m.	NOUN
eurjchem-2484	584	9	a.	a.	NOUN
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eurjchem-2484	584	11	aspects	aspect	NOUN
eurjchem-2484	584	12	of	of	ADP
eurjchem-2484	584	13	halide	halide	NOUN
eurjchem-2484	584	14	ion	ion	NOUN
eurjchem-2484	584	15	hydration	hydration	NOUN
eurjchem-2484	584	16	:	:	PUNCT
eurjchem-2484	584	17	the	the	DET
eurjchem-2484	584	18	cluster	cluster	NOUN
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eurjchem-2484	584	20	.	.	PUNCT
eurjchem-2484	585	1	annu	annu	NOUN
eurjchem-2484	585	2	.	.	PUNCT
eurjchem-2484	586	1	rev	rev	PROPN
eurjchem-2484	586	2	.	.	PUNCT
eurjchem-2484	587	1	phys	phy	NOUN
eurjchem-2484	587	2	.	.	PUNCT
eurjchem-2484	588	1	chem	chem	PROPN
eurjchem-2484	588	2	.	.	PUNCT
eurjchem-2484	589	1	2003	2003	NUM
eurjchem-2484	589	2	,	,	PUNCT
eurjchem-2484	589	3	54	54	NUM
eurjchem-2484	589	4	,	,	PUNCT
eurjchem-2484	589	5	173–213	173–213	NUM
eurjchem-2484	589	6	.	.	PUNCT
eurjchem-2484	590	1	[	[	X
eurjchem-2484	590	2	34	34	NUM
eurjchem-2484	590	3	]	]	PUNCT
eurjchem-2484	590	4	.	.	PUNCT
eurjchem-2484	591	1	klähn	klähn	PROPN
eurjchem-2484	591	2	,	,	PUNCT
eurjchem-2484	591	3	m.	m.	NOUN
eurjchem-2484	591	4	;	;	PUNCT
eurjchem-2484	591	5	mathias	mathias	PROPN
eurjchem-2484	591	6	,	,	PUNCT
eurjchem-2484	591	7	g.	g.	PROPN
eurjchem-2484	591	8	;	;	PUNCT
eurjchem-2484	591	9	kötting	kötting	NOUN
eurjchem-2484	591	10	,	,	PUNCT
eurjchem-2484	591	11	c.	c.	NOUN
eurjchem-2484	591	12	;	;	PUNCT
eurjchem-2484	591	13	nonella	nonella	NOUN
eurjchem-2484	591	14	,	,	PUNCT
eurjchem-2484	591	15	m.	m.	NOUN
eurjchem-2484	591	16	;	;	PUNCT
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eurjchem-2484	591	18	,	,	PUNCT
eurjchem-2484	591	19	j.	j.	PROPN
eurjchem-2484	591	20	;	;	PUNCT
eurjchem-2484	591	21	gerwert	gerwert	NOUN
eurjchem-2484	591	22	,	,	PUNCT
eurjchem-2484	591	23	k.	k.	PROPN
eurjchem-2484	591	24	;	;	PUNCT
eurjchem-2484	591	25	tavan	tavan	ADJ
eurjchem-2484	591	26	,	,	PUNCT
eurjchem-2484	591	27	p.	p.	PROPN
eurjchem-2484	591	28	ir	ir	PROPN
eurjchem-2484	591	29	spectra	spectra	PROPN
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eurjchem-2484	591	31	phosphate	phosphate	ADJ
eurjchem-2484	591	32	ions	ion	NOUN
eurjchem-2484	591	33	in	in	ADP
eurjchem-2484	591	34	aqueous	aqueous	ADJ
eurjchem-2484	591	35	solution	solution	NOUN
eurjchem-2484	591	36	:	:	PUNCT
eurjchem-2484	591	37	predictions	prediction	NOUN
eurjchem-2484	591	38	of	of	ADP
eurjchem-2484	591	39	a	a	DET
eurjchem-2484	591	40	dft	dft	PROPN
eurjchem-2484	591	41	/	/	SYM
eurjchem-2484	591	42	mm	mm	PROPN
eurjchem-2484	591	43	approach	approach	NOUN
eurjchem-2484	591	44	compared	compare	VERB
eurjchem-2484	591	45	with	with	ADP
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eurjchem-2484	591	47	.	.	PUNCT
eurjchem-2484	592	1	j.	j.	PROPN
eurjchem-2484	592	2	phys	phys	PROPN
eurjchem-2484	592	3	.	.	PUNCT
eurjchem-2484	593	1	chem	chem	PROPN
eurjchem-2484	593	2	.	.	PUNCT
eurjchem-2484	594	1	a	a	DET
eurjchem-2484	594	2	2004	2004	NUM
eurjchem-2484	594	3	,	,	PUNCT
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eurjchem-2484	594	5	,	,	PUNCT
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eurjchem-2484	594	7	.	.	PUNCT
eurjchem-2484	595	1	[	[	X
eurjchem-2484	595	2	35	35	NUM
eurjchem-2484	595	3	]	]	SYM
eurjchem-2484	595	4	.	.	PUNCT
eurjchem-2484	595	5	baril	baril	PROPN
eurjchem-2484	595	6	,	,	PUNCT
eurjchem-2484	595	7	j.	j.	PROPN
eurjchem-2484	595	8	;	;	PUNCT
eurjchem-2484	595	9	max	max	PROPN
eurjchem-2484	595	10	,	,	PUNCT
eurjchem-2484	595	11	j.-j	j.-j	PROPN
eurjchem-2484	595	12	.	.	PROPN
eurjchem-2484	595	13	;	;	PUNCT
eurjchem-2484	595	14	chapados	chapado	NOUN
eurjchem-2484	595	15	,	,	PUNCT
eurjchem-2484	595	16	c.	c.	PROPN
eurjchem-2484	595	17	titrage	titrage	PROPN
eurjchem-2484	595	18	infrarouge	infrarouge	PROPN
eurjchem-2484	595	19	de	de	X
eurjchem-2484	595	20	l’acide	l’acide	X
eurjchem-2484	595	21	phosphorique	phosphorique	NOUN
eurjchem-2484	595	22	.	.	PUNCT
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eurjchem-2484	595	24	.	.	PUNCT
eurjchem-2484	596	1	j.	j.	PROPN
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eurjchem-2484	596	3	.	.	PUNCT
eurjchem-2484	597	1	2000	2000	NUM
eurjchem-2484	597	2	,	,	PUNCT
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eurjchem-2484	597	4	,	,	PUNCT
eurjchem-2484	597	5	490–507	490–507	NUM
eurjchem-2484	597	6	.	.	PUNCT
eurjchem-2484	598	1	[	[	X
eurjchem-2484	598	2	36	36	NUM
eurjchem-2484	598	3	]	]	PUNCT
eurjchem-2484	598	4	.	.	PUNCT
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eurjchem-2484	599	2	,	,	PUNCT
eurjchem-2484	599	3	l.	l.	PROPN
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eurjchem-2484	599	5	-	-	PUNCT
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eurjchem-2484	599	8	:	:	PUNCT
eurjchem-2484	599	9	a	a	DET
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eurjchem-2484	599	11	,	,	PUNCT
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eurjchem-2484	599	13	,	,	PUNCT
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eurjchem-2484	599	17	study	study	NOUN
eurjchem-2484	599	18	.	.	PUNCT
eurjchem-2484	600	1	j.	j.	PROPN
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eurjchem-2484	600	5	.	.	PUNCT
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eurjchem-2484	601	2	,	,	PUNCT
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eurjchem-2484	601	4	,	,	PUNCT
eurjchem-2484	601	5	135773	135773	NUM
eurjchem-2484	601	6	.	.	PUNCT
eurjchem-2484	602	1	[	[	X
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eurjchem-2484	602	3	]	]	PUNCT
eurjchem-2484	602	4	.	.	PUNCT
eurjchem-2484	603	1	panicker	panicker	PROPN
eurjchem-2484	603	2	,	,	PUNCT
eurjchem-2484	603	3	l.	l.	PROPN
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eurjchem-2484	603	5	,	,	PUNCT
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eurjchem-2484	603	8	thermal	thermal	ADJ
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eurjchem-2484	603	10	of	of	ADP
eurjchem-2484	603	11	bis(4carboxyanilinium	bis(4carboxyanilinium	NOUN
eurjchem-2484	603	12	)	)	PUNCT
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eurjchem-2484	603	17	-	-	PUNCT
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eurjchem-2484	603	22	-	-	PUNCT
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eurjchem-2484	603	26	.	.	PUNCT
eurjchem-2484	604	1	j.	j.	PROPN
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eurjchem-2484	604	3	.	.	PROPN
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eurjchem-2484	604	5	.	.	PUNCT
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eurjchem-2484	605	2	,	,	PUNCT
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eurjchem-2484	605	4	,	,	PUNCT
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eurjchem-2484	605	6	.	.	PUNCT
eurjchem-2484	606	1	mailto:data_request@ccdc.cam.ac.uk	mailto:data_request@ccdc.cam.ac.uk	VERB
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eurjchem-2484	606	8	/	/	SYM
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eurjchem-2484	606	14	(	(	PUNCT
eurjchem-2484	606	15	1	1	NUM
eurjchem-2484	606	16	)	)	PUNCT
eurjchem-2484	606	17	(	(	PUNCT
eurjchem-2484	606	18	2024	2024	NUM
eurjchem-2484	606	19	)	)	PUNCT
eurjchem-2484	606	20	1	1	NUM
eurjchem-2484	606	21	-	-	SYM
eurjchem-2484	606	22	16	16	NUM
eurjchem-2484	606	23	2024	2024	NUM
eurjchem-2484	606	24	–	–	PUNCT
eurjchem-2484	606	25	european	european	ADJ
eurjchem-2484	606	26	journal	journal	NOUN
eurjchem-2484	606	27	of	of	ADP
eurjchem-2484	606	28	chemistry	chemistry	NOUN
eurjchem-2484	606	29	–	–	PUNCT
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eurjchem-2484	606	31	by	by	ADP
eurjchem-2484	606	32	nc	nc	PROPN
eurjchem-2484	606	33	–	–	PUNCT
eurjchem-2484	606	34	doi	doi	PROPN
eurjchem-2484	606	35	:	:	PUNCT
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eurjchem-2484	606	37	/	/	SYM
eurjchem-2484	606	38	eurjchem.15.1.1	eurjchem.15.1.1	PROPN
eurjchem-2484	606	39	-	-	SYM
eurjchem-2484	606	40	16.2484	16.2484	NUM
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eurjchem-2484	606	42	38	38	NUM
eurjchem-2484	606	43	]	]	PUNCT
eurjchem-2484	606	44	.	.	PUNCT
eurjchem-2484	607	1	panicker	panicker	PROPN
eurjchem-2484	607	2	,	,	PUNCT
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eurjchem-2484	607	5	,	,	PUNCT
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eurjchem-2484	607	7	,	,	PUNCT
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eurjchem-2484	607	15	-	-	PUNCT
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eurjchem-2484	607	18	bis(4	bis(4	NOUN
eurjchem-2484	607	19	-	-	PUNCT
eurjchem-2484	607	20	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	607	21	)	)	PUNCT
eurjchem-2484	607	22	selenate	selenate	NOUN
eurjchem-2484	607	23	and	and	CCONJ
eurjchem-2484	607	24	bis(4	bis(4	NOUN
eurjchem-2484	607	25	-	-	PUNCT
eurjchem-2484	607	26	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	607	27	)	)	PUNCT
eurjchem-2484	607	28	selenate	selenate	NOUN
eurjchem-2484	607	29	trihydrate	trihydrate	NOUN
eurjchem-2484	607	30	.	.	PUNCT
eurjchem-2484	608	1	j.	j.	PROPN
eurjchem-2484	608	2	mol	mol	PROPN
eurjchem-2484	608	3	.	.	PROPN
eurjchem-2484	608	4	struct	struct	NOUN
eurjchem-2484	608	5	.	.	PUNCT
eurjchem-2484	609	1	2024	2024	NUM
eurjchem-2484	609	2	,	,	PUNCT
eurjchem-2484	609	3	1296	1296	NUM
eurjchem-2484	609	4	,	,	PUNCT
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eurjchem-2484	609	6	.	.	PUNCT
eurjchem-2484	610	1	[	[	X
eurjchem-2484	610	2	39	39	NUM
eurjchem-2484	610	3	]	]	PUNCT
eurjchem-2484	610	4	.	.	PUNCT
eurjchem-2484	611	1	tamer	tame	ADJ
eurjchem-2484	611	2	,	,	PUNCT
eurjchem-2484	611	3	ö.	ö.	PROPN
eurjchem-2484	611	4	;	;	PUNCT
eurjchem-2484	611	5	sefa	sefa	NOUN
eurjchem-2484	611	6	atalay	atalay	PROPN
eurjchem-2484	611	7	,	,	PUNCT
eurjchem-2484	611	8	a.	a.	NOUN
eurjchem-2484	611	9	;	;	PUNCT
eurjchem-2484	611	10	avci	avci	PROPN
eurjchem-2484	611	11	,	,	PUNCT
eurjchem-2484	611	12	d.	d.	PROPN
eurjchem-2484	611	13	;	;	PUNCT
eurjchem-2484	611	14	atalay	atalay	ADJ
eurjchem-2484	611	15	,	,	PUNCT
eurjchem-2484	611	16	y.	y.	NOUN
eurjchem-2484	611	17	;	;	PUNCT
eurjchem-2484	611	18	tarcan	tarcan	X
eurjchem-2484	611	19	,	,	PUNCT
eurjchem-2484	611	20	e.	e.	PROPN
eurjchem-2484	611	21	;	;	PUNCT
eurjchem-2484	611	22	marchewka	marchewka	NOUN
eurjchem-2484	611	23	,	,	PUNCT
eurjchem-2484	611	24	m.	m.	PROPN
eurjchem-2484	611	25	k.	k.	PROPN
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eurjchem-2484	611	28	,	,	PUNCT
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eurjchem-2484	611	30	(	(	PUNCT
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eurjchem-2484	611	32	and	and	CCONJ
eurjchem-2484	611	33	raman	raman	NOUN
eurjchem-2484	611	34	)	)	PUNCT
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eurjchem-2484	611	36	and	and	CCONJ
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eurjchem-2484	611	41	p	p	NOUN
eurjchem-2484	611	42	-	-	PUNCT
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eurjchem-2484	611	44	perchlorate	perchlorate	NOUN
eurjchem-2484	611	45	molecule	molecule	NOUN
eurjchem-2484	611	46	:	:	PUNCT
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eurjchem-2484	611	49	study	study	NOUN
eurjchem-2484	611	50	.	.	PUNCT
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eurjchem-2484	612	2	.	.	PUNCT
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eurjchem-2484	612	4	.	.	PROPN
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eurjchem-2484	613	2	,	,	PUNCT
eurjchem-2484	613	3	34	34	NUM
eurjchem-2484	613	4	,	,	PUNCT
eurjchem-2484	613	5	192–203	192–203	NUM
eurjchem-2484	613	6	.	.	PUNCT
eurjchem-2484	614	1	[	[	X
eurjchem-2484	614	2	40	40	NUM
eurjchem-2484	614	3	]	]	PUNCT
eurjchem-2484	614	4	.	.	PUNCT
eurjchem-2484	615	1	mohankumar	mohankumar	PROPN
eurjchem-2484	615	2	,	,	PUNCT
eurjchem-2484	615	3	v.	v.	ADV
eurjchem-2484	615	4	;	;	PUNCT
eurjchem-2484	615	5	karunagaran	karunagaran	NOUN
eurjchem-2484	615	6	,	,	PUNCT
eurjchem-2484	615	7	n.	n.	NOUN
eurjchem-2484	615	8	;	;	PUNCT
eurjchem-2484	615	9	pandian	pandian	ADJ
eurjchem-2484	615	10	,	,	PUNCT
eurjchem-2484	615	11	m.	m.	NOUN
eurjchem-2484	615	12	s.	s.	PROPN
eurjchem-2484	615	13	;	;	PUNCT
eurjchem-2484	615	14	ramasamy	ramasamy	NOUN
eurjchem-2484	615	15	,	,	PUNCT
eurjchem-2484	615	16	p.	p.	NOUN
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eurjchem-2484	615	19	theory	theory	NOUN
eurjchem-2484	615	20	calculations	calculation	NOUN
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eurjchem-2484	615	22	hirshfeld	hirshfeld	ADJ
eurjchem-2484	615	23	surface	surface	NOUN
eurjchem-2484	615	24	analysis	analysis	NOUN
eurjchem-2484	615	25	of	of	ADP
eurjchem-2484	615	26	propyl	propyl	NOUN
eurjchem-2484	615	27	-	-	PUNCT
eurjchem-2484	615	28	para	para	NOUN
eurjchem-2484	615	29	-	-	PUNCT
eurjchem-2484	615	30	hydroxybenzoate	hydroxybenzoate	NOUN
eurjchem-2484	615	31	(	(	PUNCT
eurjchem-2484	615	32	phb	phb	PROPN
eurjchem-2484	615	33	)	)	PUNCT
eurjchem-2484	615	34	for	for	ADP
eurjchem-2484	615	35	optoelectronic	optoelectronic	ADJ
eurjchem-2484	615	36	application	application	NOUN
eurjchem-2484	615	37	.	.	PUNCT
eurjchem-2484	616	1	mater	mater	NOUN
eurjchem-2484	616	2	.	.	PUNCT
eurjchem-2484	616	3	sci.-pol	sci.-pol	NOUN
eurjchem-2484	616	4	.	.	PUNCT
eurjchem-2484	617	1	2020	2020	NUM
eurjchem-2484	617	2	,	,	PUNCT
eurjchem-2484	617	3	38	38	NUM
eurjchem-2484	617	4	,	,	PUNCT
eurjchem-2484	617	5	386–393	386–393	NUM
eurjchem-2484	617	6	.	.	PUNCT
eurjchem-2484	618	1	[	[	X
eurjchem-2484	618	2	41	41	NUM
eurjchem-2484	618	3	]	]	PUNCT
eurjchem-2484	618	4	.	.	PUNCT
eurjchem-2484	619	1	johnson	johnson	PROPN
eurjchem-2484	619	2	,	,	PUNCT
eurjchem-2484	619	3	e.	e.	PROPN
eurjchem-2484	619	4	r.	r.	PROPN
eurjchem-2484	619	5	;	;	PUNCT
eurjchem-2484	619	6	keinan	keinan	PROPN
eurjchem-2484	619	7	,	,	PUNCT
eurjchem-2484	619	8	s.	s.	PROPN
eurjchem-2484	619	9	;	;	PUNCT
eurjchem-2484	619	10	mori	mori	NOUN
eurjchem-2484	619	11	-	-	PUNCT
eurjchem-2484	619	12	sánchez	sánchez	PROPN
eurjchem-2484	619	13	,	,	PUNCT
eurjchem-2484	619	14	p.	p.	NOUN
eurjchem-2484	619	15	;	;	PUNCT
eurjchem-2484	619	16	contreras	contrera	NOUN
eurjchem-2484	619	17	-	-	PUNCT
eurjchem-2484	619	18	garcía	garcía	PROPN
eurjchem-2484	619	19	,	,	PUNCT
eurjchem-2484	619	20	j.	j.	PROPN
eurjchem-2484	619	21	;	;	PUNCT
eurjchem-2484	619	22	cohen	cohen	PROPN
eurjchem-2484	619	23	,	,	PUNCT
eurjchem-2484	619	24	a.	a.	PROPN
eurjchem-2484	619	25	j.	j.	PROPN
eurjchem-2484	619	26	;	;	PUNCT
eurjchem-2484	619	27	yang	yang	PROPN
eurjchem-2484	619	28	,	,	PUNCT
eurjchem-2484	619	29	w.	w.	NOUN
eurjchem-2484	619	30	revealing	reveal	VERB
eurjchem-2484	619	31	noncovalent	noncovalent	NOUN
eurjchem-2484	619	32	interactions	interaction	NOUN
eurjchem-2484	619	33	.	.	PUNCT
eurjchem-2484	620	1	j.	j.	PROPN
eurjchem-2484	620	2	am	am	PROPN
eurjchem-2484	620	3	.	.	PUNCT
eurjchem-2484	621	1	chem	chem	NOUN
eurjchem-2484	621	2	.	.	PUNCT
eurjchem-2484	622	1	soc	soc	PROPN
eurjchem-2484	622	2	.	.	PUNCT
eurjchem-2484	623	1	2010	2010	NUM
eurjchem-2484	623	2	,	,	PUNCT
eurjchem-2484	623	3	132	132	NUM
eurjchem-2484	623	4	,	,	PUNCT
eurjchem-2484	623	5	6498–6506	6498–6506	NUM
eurjchem-2484	623	6	.	.	PUNCT
eurjchem-2484	624	1	[	[	X
eurjchem-2484	624	2	42	42	NUM
eurjchem-2484	624	3	]	]	PUNCT
eurjchem-2484	624	4	.	.	PUNCT
eurjchem-2484	625	1	humphrey	humphrey	PROPN
eurjchem-2484	625	2	,	,	PUNCT
eurjchem-2484	625	3	w.	w.	PROPN
eurjchem-2484	625	4	;	;	PUNCT
eurjchem-2484	625	5	dalke	dalke	PROPN
eurjchem-2484	625	6	,	,	PUNCT
eurjchem-2484	625	7	a.	a.	NOUN
eurjchem-2484	625	8	;	;	PUNCT
eurjchem-2484	625	9	schulten	schulten	VERB
eurjchem-2484	625	10	,	,	PUNCT
eurjchem-2484	625	11	k.	k.	PROPN
eurjchem-2484	625	12	vmd	vmd	PROPN
eurjchem-2484	625	13	:	:	PUNCT
eurjchem-2484	625	14	visual	visual	ADJ
eurjchem-2484	625	15	molecular	molecular	ADJ
eurjchem-2484	625	16	dynamics	dynamic	NOUN
eurjchem-2484	625	17	.	.	PUNCT
eurjchem-2484	626	1	j.	j.	PROPN
eurjchem-2484	626	2	mol	mol	PROPN
eurjchem-2484	626	3	.	.	PROPN
eurjchem-2484	626	4	graph	graph	NOUN
eurjchem-2484	626	5	.	.	PUNCT
eurjchem-2484	627	1	1996	1996	NUM
eurjchem-2484	627	2	,	,	PUNCT
eurjchem-2484	627	3	14	14	NUM
eurjchem-2484	627	4	,	,	PUNCT
eurjchem-2484	627	5	33–38	33–38	NUM
eurjchem-2484	627	6	.	.	PUNCT
eurjchem-2484	628	1	[	[	X
eurjchem-2484	628	2	43	43	NUM
eurjchem-2484	628	3	]	]	PUNCT
eurjchem-2484	628	4	.	.	PUNCT
eurjchem-2484	629	1	bader	bader	PROPN
eurjchem-2484	629	2	,	,	PUNCT
eurjchem-2484	629	3	r.	r.	PROPN
eurjchem-2484	629	4	f.	f.	PROPN
eurjchem-2484	629	5	w.	w.	PROPN
eurjchem-2484	629	6	atoms	atom	NOUN
eurjchem-2484	629	7	in	in	ADP
eurjchem-2484	629	8	molecules	molecule	NOUN
eurjchem-2484	629	9	:	:	PUNCT
eurjchem-2484	629	10	a	a	DET
eurjchem-2484	629	11	quantum	quantum	NOUN
eurjchem-2484	629	12	theory	theory	NOUN
eurjchem-2484	629	13	;	;	PUNCT
eurjchem-2484	629	14	clarendon	clarendon	PROPN
eurjchem-2484	629	15	press	press	NOUN
eurjchem-2484	629	16	:	:	PUNCT
eurjchem-2484	629	17	oxford	oxford	PROPN
eurjchem-2484	629	18	,	,	PUNCT
eurjchem-2484	629	19	england	england	PROPN
eurjchem-2484	629	20	,	,	PUNCT
eurjchem-2484	629	21	1994	1994	NUM
eurjchem-2484	629	22	.	.	PUNCT
eurjchem-2484	630	1	[	[	X
eurjchem-2484	630	2	44	44	NUM
eurjchem-2484	630	3	]	]	PUNCT
eurjchem-2484	630	4	.	.	PUNCT
eurjchem-2484	631	1	koch	koch	PROPN
eurjchem-2484	631	2	,	,	PUNCT
eurjchem-2484	631	3	u.	u.	PROPN
eurjchem-2484	631	4	;	;	PUNCT
eurjchem-2484	631	5	popelier	popelier	NOUN
eurjchem-2484	631	6	,	,	PUNCT
eurjchem-2484	631	7	p.	p.	PROPN
eurjchem-2484	631	8	l.	l.	PROPN
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eurjchem-2484	631	12	c	c	NOUN
eurjchem-2484	631	13	-	-	PUNCT
eurjchem-2484	631	14	h	h	NOUN
eurjchem-2484	631	15	-	-	PUNCT
eurjchem-2484	631	16	o	o	NOUN
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eurjchem-2484	631	18	bonds	bond	NOUN
eurjchem-2484	631	19	on	on	ADP
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eurjchem-2484	631	23	the	the	DET
eurjchem-2484	631	24	charge	charge	NOUN
eurjchem-2484	631	25	density	density	NOUN
eurjchem-2484	631	26	.	.	PUNCT
eurjchem-2484	632	1	j.	j.	PROPN
eurjchem-2484	632	2	phys	phys	PROPN
eurjchem-2484	632	3	.	.	PUNCT
eurjchem-2484	633	1	chem	chem	PROPN
eurjchem-2484	633	2	.	.	PUNCT
eurjchem-2484	634	1	1995	1995	NUM
eurjchem-2484	634	2	,	,	PUNCT
eurjchem-2484	634	3	99	99	NUM
eurjchem-2484	634	4	,	,	PUNCT
eurjchem-2484	634	5	9747–9754	9747–9754	NUM
eurjchem-2484	634	6	.	.	PUNCT
eurjchem-2484	635	1	[	[	X
eurjchem-2484	635	2	45	45	NUM
eurjchem-2484	635	3	]	]	PUNCT
eurjchem-2484	635	4	.	.	PUNCT
eurjchem-2484	636	1	yang	yang	PROPN
eurjchem-2484	636	2	,	,	PUNCT
eurjchem-2484	636	3	y.-z	y.-z	PROPN
eurjchem-2484	636	4	.	.	PUNCT
eurjchem-2484	636	5	;	;	PUNCT
eurjchem-2484	637	1	liu	liu	PROPN
eurjchem-2484	637	2	,	,	PUNCT
eurjchem-2484	637	3	x.-f	x.-f	NOUN
eurjchem-2484	637	4	.	.	PUNCT
eurjchem-2484	637	5	;	;	PUNCT
eurjchem-2484	637	6	zhang	zhang	PROPN
eurjchem-2484	637	7	,	,	PUNCT
eurjchem-2484	637	8	r.-b	r.-b	PROPN
eurjchem-2484	637	9	.	.	PUNCT
eurjchem-2484	637	10	;	;	PUNCT
eurjchem-2484	637	11	pang	pang	NOUN
eurjchem-2484	637	12	,	,	PUNCT
eurjchem-2484	637	13	s.-p	s.-p	PROPN
eurjchem-2484	637	14	.	.	PUNCT
eurjchem-2484	638	1	joint	joint	ADJ
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eurjchem-2484	638	11	the	the	DET
eurjchem-2484	638	12	aryl	aryl	NOUN
eurjchem-2484	638	13	pentazole	pentazole	NOUN
eurjchem-2484	638	14	upon	upon	SCONJ
eurjchem-2484	638	15	noncovalent	noncovalent	NOUN
eurjchem-2484	638	16	binding	bind	VERB
eurjchem-2484	638	17	to	to	ADP
eurjchem-2484	638	18	β	β	NOUN
eurjchem-2484	638	19	-	-	NOUN
eurjchem-2484	638	20	cyclodextrin	cyclodextrin	NOUN
eurjchem-2484	638	21	.	.	PUNCT
eurjchem-2484	639	1	phys	phy	NOUN
eurjchem-2484	639	2	.	.	PUNCT
eurjchem-2484	640	1	chem	chem	PROPN
eurjchem-2484	640	2	.	.	PUNCT
eurjchem-2484	641	1	chem	chem	NOUN
eurjchem-2484	641	2	.	.	PUNCT
eurjchem-2484	642	1	phys	phy	NOUN
eurjchem-2484	642	2	.	.	PUNCT
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eurjchem-2484	643	2	,	,	PUNCT
eurjchem-2484	643	3	19	19	NUM
eurjchem-2484	643	4	,	,	PUNCT
eurjchem-2484	643	5	31236–31244	31236–31244	NUM
eurjchem-2484	643	6	.	.	PUNCT
eurjchem-2484	644	1	[	[	X
eurjchem-2484	644	2	46	46	NUM
eurjchem-2484	644	3	]	]	PUNCT
eurjchem-2484	644	4	.	.	PUNCT
eurjchem-2484	645	1	emamian	emamian	PROPN
eurjchem-2484	645	2	,	,	PUNCT
eurjchem-2484	645	3	s.	s.	PROPN
eurjchem-2484	645	4	;	;	PUNCT
eurjchem-2484	645	5	lu	lu	PROPN
eurjchem-2484	645	6	,	,	PUNCT
eurjchem-2484	645	7	t.	t.	PROPN
eurjchem-2484	645	8	;	;	PUNCT
eurjchem-2484	645	9	kruse	kruse	PROPN
eurjchem-2484	645	10	,	,	PUNCT
eurjchem-2484	645	11	h.	h.	PROPN
eurjchem-2484	645	12	;	;	PUNCT
eurjchem-2484	645	13	emamian	emamian	PROPN
eurjchem-2484	645	14	,	,	PUNCT
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eurjchem-2484	645	19	predicting	predict	VERB
eurjchem-2484	645	20	strength	strength	NOUN
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eurjchem-2484	645	22	hydrogen	hydrogen	NOUN
eurjchem-2484	645	23	bonds	bond	NOUN
eurjchem-2484	645	24	:	:	PUNCT
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eurjchem-2484	645	26	correlation	correlation	NOUN
eurjchem-2484	645	27	analysis	analysis	NOUN
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eurjchem-2484	645	29	atoms	atom	NOUN
eurjchem-2484	645	30	-	-	PUNCT
eurjchem-2484	645	31	in	in	ADP
eurjchem-2484	645	32	-	-	PUNCT
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eurjchem-2484	645	34	descriptors	descriptor	NOUN
eurjchem-2484	645	35	,	,	PUNCT
eurjchem-2484	645	36	binding	bind	VERB
eurjchem-2484	645	37	energies	energy	NOUN
eurjchem-2484	645	38	,	,	PUNCT
eurjchem-2484	645	39	and	and	CCONJ
eurjchem-2484	645	40	energy	energy	NOUN
eurjchem-2484	645	41	components	component	NOUN
eurjchem-2484	645	42	of	of	ADP
eurjchem-2484	645	43	symmetry	symmetry	NOUN
eurjchem-2484	645	44	-	-	PUNCT
eurjchem-2484	645	45	adapted	adapt	VERB
eurjchem-2484	645	46	perturbation	perturbation	NOUN
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eurjchem-2484	645	48	.	.	PUNCT
eurjchem-2484	646	1	j.	j.	PROPN
eurjchem-2484	646	2	comput	comput	PROPN
eurjchem-2484	646	3	.	.	PUNCT
eurjchem-2484	647	1	chem	chem	NOUN
eurjchem-2484	647	2	.	.	PUNCT
eurjchem-2484	648	1	2019	2019	NUM
eurjchem-2484	648	2	,	,	PUNCT
eurjchem-2484	648	3	40	40	NUM
eurjchem-2484	648	4	,	,	PUNCT
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eurjchem-2484	648	6	.	.	PUNCT
eurjchem-2484	649	1	[	[	X
eurjchem-2484	649	2	47	47	NUM
eurjchem-2484	649	3	]	]	PUNCT
eurjchem-2484	649	4	.	.	PUNCT
eurjchem-2484	650	1	rozas	rozas	PROPN
eurjchem-2484	650	2	,	,	PUNCT
eurjchem-2484	650	3	i.	i.	PROPN
eurjchem-2484	650	4	;	;	PUNCT
eurjchem-2484	650	5	alkorta	alkorta	PROPN
eurjchem-2484	650	6	,	,	PUNCT
eurjchem-2484	650	7	i.	i.	PROPN
eurjchem-2484	650	8	;	;	PUNCT
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eurjchem-2484	650	10	,	,	PUNCT
eurjchem-2484	650	11	j.	j.	PROPN
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eurjchem-2484	652	1	chem	chem	NOUN
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eurjchem-2484	653	2	.	.	PUNCT
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eurjchem-2484	654	2	,	,	PUNCT
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eurjchem-2484	654	4	,	,	PUNCT
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eurjchem-2484	654	6	.	.	PUNCT
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eurjchem-2484	655	2	©	©	ADP
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eurjchem-2484	655	5	authors	author	NOUN
eurjchem-2484	655	6	.	.	PUNCT
eurjchem-2484	656	1	this	this	DET
eurjchem-2484	656	2	work	work	NOUN
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eurjchem-2484	656	5	and	and	CCONJ
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eurjchem-2484	656	15	ga	ga	PROPN
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eurjchem-2484	656	18	.	.	PUNCT
eurjchem-2484	657	1	the	the	DET
eurjchem-2484	657	2	full	full	ADJ
eurjchem-2484	657	3	terms	term	NOUN
eurjchem-2484	657	4	of	of	ADP
eurjchem-2484	657	5	this	this	DET
eurjchem-2484	657	6	license	license	NOUN
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eurjchem-2484	657	11	and	and	CCONJ
eurjchem-2484	657	12	incorporate	incorporate	VERB
eurjchem-2484	657	13	the	the	DET
eurjchem-2484	657	14	creative	creative	ADJ
eurjchem-2484	657	15	commons	common	NOUN
eurjchem-2484	657	16	attribution	attribution	NOUN
eurjchem-2484	657	17	-	-	PUNCT
eurjchem-2484	657	18	non	non	ADJ
eurjchem-2484	657	19	commercial	commercial	NOUN
eurjchem-2484	657	20	(	(	PUNCT
eurjchem-2484	657	21	cc	cc	NOUN
eurjchem-2484	657	22	by	by	ADP
eurjchem-2484	657	23	nc	nc	PROPN
eurjchem-2484	657	24	)	)	PUNCT
eurjchem-2484	657	25	(	(	PUNCT
eurjchem-2484	657	26	international	international	ADJ
eurjchem-2484	657	27	,	,	PUNCT
eurjchem-2484	657	28	v4.0	v4.0	NOUN
eurjchem-2484	657	29	)	)	PUNCT
eurjchem-2484	657	30	license	license	NOUN
eurjchem-2484	657	31	(	(	PUNCT
eurjchem-2484	657	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2484	657	33	)	)	PUNCT
eurjchem-2484	657	34	.	.	PUNCT
eurjchem-2484	658	1	by	by	ADP
eurjchem-2484	658	2	accessing	access	VERB
eurjchem-2484	658	3	the	the	DET
eurjchem-2484	658	4	work	work	NOUN
eurjchem-2484	658	5	,	,	PUNCT
eurjchem-2484	658	6	you	you	PRON
eurjchem-2484	658	7	hereby	hereby	ADV
eurjchem-2484	658	8	accept	accept	VERB
eurjchem-2484	658	9	the	the	DET
eurjchem-2484	658	10	terms	term	NOUN
eurjchem-2484	658	11	.	.	PUNCT
eurjchem-2484	659	1	this	this	PRON
eurjchem-2484	659	2	is	be	AUX
eurjchem-2484	659	3	an	an	DET
eurjchem-2484	659	4	open	open	ADJ
eurjchem-2484	659	5	access	access	NOUN
eurjchem-2484	659	6	article	article	NOUN
eurjchem-2484	659	7	distributed	distribute	VERB
eurjchem-2484	659	8	under	under	ADP
eurjchem-2484	659	9	the	the	DET
eurjchem-2484	659	10	terms	term	NOUN
eurjchem-2484	659	11	and	and	CCONJ
eurjchem-2484	659	12	conditions	condition	NOUN
eurjchem-2484	659	13	of	of	ADP
eurjchem-2484	659	14	the	the	DET
eurjchem-2484	659	15	cc	cc	PROPN
eurjchem-2484	659	16	by	by	ADP
eurjchem-2484	659	17	nc	nc	PROPN
eurjchem-2484	659	18	license	license	PROPN
eurjchem-2484	659	19	,	,	PUNCT
eurjchem-2484	659	20	which	which	PRON
eurjchem-2484	659	21	permits	permit	VERB
eurjchem-2484	659	22	unrestricted	unrestricted	ADJ
eurjchem-2484	659	23	non	non	ADJ
eurjchem-2484	659	24	-	-	ADJ
eurjchem-2484	659	25	commercial	commercial	ADJ
eurjchem-2484	659	26	use	use	NOUN
eurjchem-2484	659	27	,	,	PUNCT
eurjchem-2484	659	28	distribution	distribution	NOUN
eurjchem-2484	659	29	,	,	PUNCT
eurjchem-2484	659	30	and	and	CCONJ
eurjchem-2484	659	31	reproduction	reproduction	NOUN
eurjchem-2484	659	32	in	in	ADP
eurjchem-2484	659	33	any	any	DET
eurjchem-2484	659	34	medium	medium	NOUN
eurjchem-2484	659	35	,	,	PUNCT
eurjchem-2484	659	36	provided	provide	VERB
eurjchem-2484	659	37	the	the	DET
eurjchem-2484	659	38	original	original	ADJ
eurjchem-2484	659	39	work	work	NOUN
eurjchem-2484	659	40	is	be	AUX
eurjchem-2484	659	41	properly	properly	ADV
eurjchem-2484	659	42	cited	cite	VERB
eurjchem-2484	659	43	without	without	ADP
eurjchem-2484	659	44	any	any	DET
eurjchem-2484	659	45	further	further	ADJ
eurjchem-2484	659	46	permission	permission	NOUN
eurjchem-2484	659	47	from	from	ADP
eurjchem-2484	659	48	atlanta	atlanta	PROPN
eurjchem-2484	659	49	publishing	publishing	PROPN
eurjchem-2484	659	50	house	house	PROPN
eurjchem-2484	659	51	llc	llc	PROPN
eurjchem-2484	659	52	(	(	PUNCT
eurjchem-2484	659	53	european	european	PROPN
eurjchem-2484	659	54	journal	journal	PROPN
eurjchem-2484	659	55	of	of	ADP
eurjchem-2484	659	56	chemistry	chemistry	NOUN
eurjchem-2484	659	57	)	)	PUNCT
eurjchem-2484	659	58	.	.	PUNCT
eurjchem-2484	660	1	no	no	DET
eurjchem-2484	660	2	use	use	NOUN
eurjchem-2484	660	3	,	,	PUNCT
eurjchem-2484	660	4	distribution	distribution	NOUN
eurjchem-2484	660	5	,	,	PUNCT
eurjchem-2484	660	6	or	or	CCONJ
eurjchem-2484	660	7	reproduction	reproduction	NOUN
eurjchem-2484	660	8	is	be	AUX
eurjchem-2484	660	9	permitted	permit	VERB
eurjchem-2484	660	10	which	which	PRON
eurjchem-2484	660	11	does	do	AUX
eurjchem-2484	660	12	not	not	PART
eurjchem-2484	660	13	comply	comply	VERB
eurjchem-2484	660	14	with	with	ADP
eurjchem-2484	660	15	these	these	DET
eurjchem-2484	660	16	terms	term	NOUN
eurjchem-2484	660	17	.	.	PUNCT
eurjchem-2484	661	1	permissions	permission	NOUN
eurjchem-2484	661	2	for	for	ADP
eurjchem-2484	661	3	commercial	commercial	ADJ
eurjchem-2484	661	4	use	use	NOUN
eurjchem-2484	661	5	of	of	ADP
eurjchem-2484	661	6	this	this	DET
eurjchem-2484	661	7	work	work	NOUN
eurjchem-2484	661	8	beyond	beyond	ADP
eurjchem-2484	661	9	the	the	DET
eurjchem-2484	661	10	scope	scope	NOUN
eurjchem-2484	661	11	of	of	ADP
eurjchem-2484	661	12	the	the	DET
eurjchem-2484	661	13	license	license	NOUN
eurjchem-2484	661	14	(	(	PUNCT
eurjchem-2484	661	15	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2484	661	16	)	)	PUNCT
eurjchem-2484	661	17	are	be	AUX
eurjchem-2484	661	18	administered	administer	VERB
eurjchem-2484	661	19	by	by	ADP
eurjchem-2484	661	20	atlanta	atlanta	PROPN
eurjchem-2484	661	21	publishing	publishing	PROPN
eurjchem-2484	661	22	house	house	PROPN
eurjchem-2484	661	23	llc	llc	PROPN
eurjchem-2484	661	24	(	(	PUNCT
eurjchem-2484	661	25	european	european	PROPN
eurjchem-2484	661	26	journal	journal	PROPN
eurjchem-2484	661	27	of	of	ADP
eurjchem-2484	661	28	chemistry	chemistry	NOUN
eurjchem-2484	661	29	)	)	PUNCT
eurjchem-2484	661	30	.	.	PUNCT
eurjchem-2484	662	1	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	VERB
eurjchem-2484	662	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2484	662	3	https://www.eurjchem.com/index.php/eurjchem/terms	https://www.eurjchem.com/index.php/eurjchem/term	NOUN
eurjchem-2484	662	4	1	1	NUM
eurjchem-2484	662	5	.	.	PUNCT
eurjchem-2484	663	1	introduction	introduction	NOUN
eurjchem-2484	663	2	2	2	NUM
eurjchem-2484	663	3	.	.	PUNCT
eurjchem-2484	663	4	experimental	experimental	ADJ
eurjchem-2484	663	5	2.1	2.1	NUM
eurjchem-2484	663	6	.	.	PUNCT
eurjchem-2484	664	1	crystal	crystal	NOUN
eurjchem-2484	664	2	growth	growth	NOUN
eurjchem-2484	664	3	2.2	2.2	NUM
eurjchem-2484	664	4	.	.	PUNCT
eurjchem-2484	665	1	single	single	ADJ
eurjchem-2484	665	2	-	-	PUNCT
eurjchem-2484	665	3	crystal	crystal	NOUN
eurjchem-2484	665	4	x	x	ADJ
eurjchem-2484	665	5	-	-	NOUN
eurjchem-2484	665	6	ray	ray	NOUN
eurjchem-2484	665	7	diffraction	diffraction	NOUN
eurjchem-2484	665	8	2.3	2.3	NUM
eurjchem-2484	665	9	.	.	PUNCT
eurjchem-2484	666	1	differential	differential	ADJ
eurjchem-2484	666	2	scanning	scan	VERB
eurjchem-2484	666	3	calorimetry	calorimetry	NOUN
eurjchem-2484	666	4	2.4	2.4	NUM
eurjchem-2484	666	5	.	.	PUNCT
eurjchem-2484	667	1	fourier	fourier	PROPN
eurjchem-2484	667	2	transform	transform	VERB
eurjchem-2484	667	3	ir	ir	PROPN
eurjchem-2484	667	4	spectroscopy	spectroscopy	VERB
eurjchem-2484	667	5	2.5	2.5	NUM
eurjchem-2484	667	6	.	.	PUNCT
eurjchem-2484	668	1	hirshfeld	hirshfeld	PROPN
eurjchem-2484	668	2	surface	surface	PROPN
eurjchem-2484	668	3	analyses	analyse	VERB
eurjchem-2484	668	4	2.6	2.6	NUM
eurjchem-2484	668	5	.	.	PUNCT
eurjchem-2484	669	1	3d	3d	NUM
eurjchem-2484	669	2	energy	energy	NOUN
eurjchem-2484	669	3	framework	framework	NOUN
eurjchem-2484	669	4	analysis	analysis	NOUN
eurjchem-2484	669	5	2.7	2.7	NUM
eurjchem-2484	669	6	.	.	PUNCT
eurjchem-2484	670	1	computational	computational	ADJ
eurjchem-2484	670	2	details	detail	NOUN
eurjchem-2484	670	3	for	for	ADP
eurjchem-2484	670	4	quantum	quantum	ADJ
eurjchem-2484	670	5	chemical	chemical	NOUN
eurjchem-2484	670	6	calculations	calculation	NOUN
eurjchem-2484	670	7	2.8	2.8	NUM
eurjchem-2484	670	8	.	.	PUNCT
eurjchem-2484	671	1	non	non	ADJ
eurjchem-2484	671	2	-	-	ADJ
eurjchem-2484	671	3	covalent	covalent	ADJ
eurjchem-2484	671	4	interaction	interaction	NOUN
eurjchem-2484	671	5	and	and	CCONJ
eurjchem-2484	671	6	quantum	quantum	NOUN
eurjchem-2484	671	7	theory	theory	NOUN
eurjchem-2484	671	8	of	of	ADP
eurjchem-2484	671	9	atom	atom	NOUN
eurjchem-2484	671	10	in	in	ADP
eurjchem-2484	671	11	molecule	molecule	NOUN
eurjchem-2484	671	12	analysis	analysis	NOUN
eurjchem-2484	671	13	3	3	NUM
eurjchem-2484	671	14	.	.	NOUN
eurjchem-2484	671	15	results	result	NOUN
eurjchem-2484	671	16	and	and	CCONJ
eurjchem-2484	671	17	discussions	discussion	NOUN
eurjchem-2484	671	18	3.1	3.1	NUM
eurjchem-2484	671	19	.	.	PUNCT
eurjchem-2484	672	1	single	single	ADJ
eurjchem-2484	672	2	crystal	crystal	PROPN
eurjchem-2484	672	3	x	x	PROPN
eurjchem-2484	672	4	-	-	NOUN
eurjchem-2484	672	5	ray	ray	NOUN
eurjchem-2484	672	6	diffraction	diffraction	NOUN
eurjchem-2484	672	7	3.1.1	3.1.1	NUM
eurjchem-2484	672	8	.	.	PUNCT
eurjchem-2484	673	1	4	4	NUM
eurjchem-2484	673	2	-	-	PUNCT
eurjchem-2484	673	3	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	673	4	dihydrogen	dihydrogen	NOUN
eurjchem-2484	673	5	phosphate	phosphate	NOUN
eurjchem-2484	673	6	monohydrate	monohydrate	PROPN
eurjchem-2484	673	7	crystal	crystal	NOUN
eurjchem-2484	673	8	structure	structure	NOUN
eurjchem-2484	673	9	and	and	CCONJ
eurjchem-2484	673	10	packing	pack	VERB
eurjchem-2484	673	11	at	at	ADP
eurjchem-2484	673	12	293	293	NUM
eurjchem-2484	673	13	k	k	PROPN
eurjchem-2484	673	14	3.2	3.2	NUM
eurjchem-2484	673	15	.	.	PUNCT
eurjchem-2484	674	1	differential	differential	ADJ
eurjchem-2484	674	2	scanning	scan	VERB
eurjchem-2484	674	3	calorimetry	calorimetry	NOUN
eurjchem-2484	674	4	3.3	3.3	NUM
eurjchem-2484	674	5	.	.	PUNCT
eurjchem-2484	675	1	ftir	ftir	PROPN
eurjchem-2484	675	2	spectra	spectra	PROPN
eurjchem-2484	675	3	3.3.1	3.3.1	X
eurjchem-2484	675	4	.	.	PUNCT
eurjchem-2484	676	1	the	the	DET
eurjchem-2484	676	2	vibrations	vibration	NOUN
eurjchem-2484	676	3	of	of	ADP
eurjchem-2484	676	4	4	4	NUM
eurjchem-2484	676	5	-	-	PUNCT
eurjchem-2484	676	6	carboxyanilinium	carboxyanilinium	NOUN
eurjchem-2484	676	7	cations	cation	NOUN
eurjchem-2484	676	8	and	and	CCONJ
eurjchem-2484	676	9	phosphate	phosphate	ADJ
eurjchem-2484	676	10	anions	anion	NOUN
eurjchem-2484	676	11	3.4	3.4	NUM
eurjchem-2484	676	12	.	.	PUNCT
eurjchem-2484	677	1	hirshfeld	hirshfeld	PROPN
eurjchem-2484	677	2	surface	surface	NOUN
eurjchem-2484	677	3	analysis	analysis	NOUN
eurjchem-2484	677	4	3.5	3.5	NUM
eurjchem-2484	677	5	.	.	PUNCT
eurjchem-2484	678	1	energy	energy	NOUN
eurjchem-2484	678	2	framework	framework	NOUN
eurjchem-2484	678	3	analysis	analysis	NOUN
eurjchem-2484	678	4	3.6	3.6	NUM
eurjchem-2484	678	5	.	.	PUNCT
eurjchem-2484	679	1	dft	dft	PROPN
eurjchem-2484	679	2	calculations	calculation	NOUN
eurjchem-2484	679	3	3.6.1	3.6.1	NUM
eurjchem-2484	679	4	geometrical	geometrical	ADJ
eurjchem-2484	679	5	optimization	optimization	NOUN
eurjchem-2484	679	6	of	of	ADP
eurjchem-2484	679	7	4	4	NUM
eurjchem-2484	679	8	-	-	PUNCT
eurjchem-2484	679	9	cah2po4	cah2po4	NOUN
eurjchem-2484	679	10	h2o	h2o	VERB
eurjchem-2484	679	11	3.6.2	3.6.2	PROPN
eurjchem-2484	679	12	.	.	PUNCT
eurjchem-2484	679	13	vibrational	vibrational	ADJ
eurjchem-2484	679	14	spectra	spectra	NOUN
eurjchem-2484	679	15	of	of	ADP
eurjchem-2484	679	16	4	4	NUM
eurjchem-2484	679	17	-	-	PUNCT
eurjchem-2484	679	18	cah2po4	cah2po4	NOUN
eurjchem-2484	679	19	h2o	h2o	VERB
eurjchem-2484	679	20	3.7	3.7	NUM
eurjchem-2484	679	21	.	.	PUNCT
eurjchem-2484	680	1	non	non	ADJ
eurjchem-2484	680	2	-	-	ADJ
eurjchem-2484	680	3	covalent	covalent	ADJ
eurjchem-2484	680	4	interaction	interaction	NOUN
eurjchem-2484	680	5	(	(	PUNCT
eurjchem-2484	680	6	nci	nci	PROPN
eurjchem-2484	680	7	)	)	PUNCT
eurjchem-2484	680	8	and	and	CCONJ
eurjchem-2484	680	9	quantum	quantum	NOUN
eurjchem-2484	680	10	theory	theory	NOUN
eurjchem-2484	680	11	of	of	ADP
eurjchem-2484	680	12	atom	atom	NOUN
eurjchem-2484	680	13	in	in	ADP
eurjchem-2484	680	14	molecule	molecule	NOUN
eurjchem-2484	680	15	(	(	PUNCT
eurjchem-2484	680	16	qtaim	qtaim	NOUN
eurjchem-2484	680	17	)	)	PUNCT
eurjchem-2484	680	18	analysis	analysis	NOUN
eurjchem-2484	680	19	3.7.1	3.7.1	NUM
eurjchem-2484	680	20	.	.	PUNCT
eurjchem-2484	681	1	non	non	ADJ
eurjchem-2484	681	2	-	-	ADJ
eurjchem-2484	681	3	covalent	covalent	ADJ
eurjchem-2484	681	4	interaction	interaction	NOUN
eurjchem-2484	681	5	analysis	analysis	NOUN
eurjchem-2484	681	6	3.7.2	3.7.2	NUM
eurjchem-2484	681	7	quantum	quantum	NOUN
eurjchem-2484	681	8	theory	theory	NOUN
eurjchem-2484	681	9	of	of	ADP
eurjchem-2484	681	10	atom	atom	NOUN
eurjchem-2484	681	11	in	in	ADP
eurjchem-2484	681	12	molecule	molecule	NOUN
eurjchem-2484	681	13	(	(	PUNCT
eurjchem-2484	681	14	qtaim	qtaim	NOUN
eurjchem-2484	681	15	)	)	PUNCT
eurjchem-2484	681	16	analysis	analysis	NOUN
eurjchem-2484	681	17	4	4	NUM
eurjchem-2484	681	18	.	.	PUNCT
eurjchem-2484	682	1	conclusion	conclusion	NOUN
eurjchem-2484	682	2	acknowledgements	acknowledgement	NOUN
eurjchem-2484	682	3	supporting	support	VERB
eurjchem-2484	682	4	information	information	NOUN
eurjchem-2484	682	5	disclosure	disclosure	NOUN
eurjchem-2484	682	6	statement	statement	NOUN
eurjchem-2484	682	7	funding	fund	VERB
eurjchem-2484	682	8	orcid	orcid	NOUN
eurjchem-2484	682	9	and	and	CCONJ
eurjchem-2484	682	10	email	email	NOUN
eurjchem-2484	682	11	references	reference	NOUN
eurjchem-2484	682	12	printfield10	printfield10	PROPN
eurjchem-2484	682	13	:	:	PUNCT
eurjchem-2484	682	14	printfield11	printfield11	NOUN
eurjchem-2484	682	15	:	:	PUNCT
eurjchem-2484	682	16	printfield12	printfield12	PROPN
eurjchem-2484	682	17	:	:	PUNCT
eurjchem-2484	682	18	printfield13	printfield13	VERB
eurjchem-2484	682	19	:	:	PUNCT
eurjchem-2484	682	20	printfield14	printfield14	NOUN
eurjchem-2484	682	21	:	:	PUNCT
eurjchem-2484	682	22	printfield15	printfield15	NOUN
eurjchem-2484	682	23	:	:	PUNCT
eurjchem-2484	682	24	printfield16	printfield16	ADJ
eurjchem-2484	682	25	:	:	PUNCT
eurjchem-2484	682	26	printfield17	printfield17	NOUN
eurjchem-2484	682	27	:	:	PUNCT
eurjchem-2484	682	28	printfield18	printfield18	NOUN
eurjchem-2484	682	29	:	:	PUNCT
eurjchem-2484	682	30	printfield19	printfield19	NOUN
eurjchem-2484	682	31	:	:	PUNCT
eurjchem-2484	682	32	printfield110	printfield110	PROPN
eurjchem-2484	682	33	:	:	PUNCT
eurjchem-2484	682	34	printfield111	printfield111	PROPN
eurjchem-2484	682	35	:	:	PUNCT
eurjchem-2484	682	36	printfield112	printfield112	PROPN
eurjchem-2484	682	37	:	:	PUNCT
eurjchem-2484	682	38	printfield113	printfield113	ADJ
eurjchem-2484	682	39	:	:	PUNCT
eurjchem-2484	682	40	printfield114	printfield114	PROPN
eurjchem-2484	682	41	:	:	PUNCT
eurjchem-2484	682	42	printfield115	printfield115	PROPN
eurjchem-2484	682	43	:	:	PUNCT
eurjchem-2484	682	44	printfield20	printfield20	PROPN
eurjchem-2484	682	45	:	:	PUNCT
eurjchem-2484	682	46	printfield21	printfield21	ADJ
eurjchem-2484	682	47	:	:	PUNCT
eurjchem-2484	682	48	printfield22	printfield22	NOUN
eurjchem-2484	682	49	:	:	PUNCT
eurjchem-2484	682	50	printfield23	printfield23	NOUN
eurjchem-2484	682	51	:	:	PUNCT
eurjchem-2484	682	52	printfield24	printfield24	NOUN
eurjchem-2484	682	53	:	:	PUNCT
eurjchem-2484	682	54	printfield25	printfield25	NOUN
eurjchem-2484	682	55	:	:	PUNCT
eurjchem-2484	682	56	printfield26	printfield26	ADJ
eurjchem-2484	682	57	:	:	PUNCT
eurjchem-2484	682	58	printfield27	printfield27	NOUN
eurjchem-2484	682	59	:	:	PUNCT
eurjchem-2484	682	60	printfield28	printfield28	NOUN
eurjchem-2484	682	61	:	:	PUNCT
eurjchem-2484	682	62	printfield29	printfield29	ADV
eurjchem-2484	682	63	:	:	PUNCT
eurjchem-2484	682	64	printfield210	printfield210	PROPN
eurjchem-2484	682	65	:	:	PUNCT
eurjchem-2484	682	66	printfield211	printfield211	PROPN
eurjchem-2484	682	67	:	:	PUNCT
eurjchem-2484	683	1	printfield212	printfield212	PROPN
eurjchem-2484	683	2	:	:	PUNCT
eurjchem-2484	683	3	printfield213	printfield213	PROPN
eurjchem-2484	683	4	:	:	PUNCT
eurjchem-2484	683	5	printfield214	printfield214	PROPN
eurjchem-2484	683	6	:	:	PUNCT
eurjchem-2484	683	7	printfield215	printfield215	ADJ
eurjchem-2484	683	8	:	:	PUNCT