id	sid	tid	token	lemma	pos
eurjchem-2177	1	1	crystal	crystal	NOUN
eurjchem-2177	1	2	structure	structure	NOUN
eurjchem-2177	1	3	,	,	PUNCT
eurjchem-2177	1	4	hirshfeld	hirshfeld	PROPN
eurjchem-2177	1	5	surface	surface	NOUN
eurjchem-2177	1	6	,	,	PUNCT
eurjchem-2177	1	7	and	and	CCONJ
eurjchem-2177	1	8	dft	dft	PROPN
eurjchem-2177	1	9	studies	study	NOUN
eurjchem-2177	1	10	of	of	ADP
eurjchem-2177	1	11	4-((pyrrolidin-1	4-((pyrrolidin-1	PROPN
eurjchem-2177	1	12	-	-	SYM
eurjchem-2177	1	13	ylsulfonyl)methyl)aniline	ylsulfonyl)methyl)aniline	NUM
eurjchem-2177	1	14	european	european	PROPN
eurjchem-2177	1	15	journal	journal	PROPN
eurjchem-2177	1	16	of	of	ADP
eurjchem-2177	1	17	chemistry	chemistry	NOUN
eurjchem-2177	1	18	12	12	NUM
eurjchem-2177	1	19	(	(	PUNCT
eurjchem-2177	1	20	4	4	NUM
eurjchem-2177	1	21	)	)	PUNCT
eurjchem-2177	1	22	(	(	PUNCT
eurjchem-2177	1	23	2021	2021	NUM
eurjchem-2177	1	24	)	)	PUNCT
eurjchem-2177	1	25	419	419	NUM
eurjchem-2177	1	26	-	-	SYM
eurjchem-2177	1	27	431	431	NUM
eurjchem-2177	1	28	european	european	ADJ
eurjchem-2177	1	29	journal	journal	NOUN
eurjchem-2177	1	30	of	of	ADP
eurjchem-2177	1	31	chemistry	chemistry	NOUN
eurjchem-2177	1	32	issn	issn	VERB
eurjchem-2177	1	33	2153	2153	NUM
eurjchem-2177	1	34	-	-	SYM
eurjchem-2177	1	35	2249	2249	NUM
eurjchem-2177	1	36	(	(	PUNCT
eurjchem-2177	1	37	print	print	NOUN
eurjchem-2177	1	38	)	)	PUNCT
eurjchem-2177	1	39	/	/	PUNCT
eurjchem-2177	1	40	issn	issn	PROPN
eurjchem-2177	1	41	2153	2153	NUM
eurjchem-2177	1	42	-	-	SYM
eurjchem-2177	1	43	2257	2257	NUM
eurjchem-2177	1	44	(	(	PUNCT
eurjchem-2177	1	45	online	online	ADJ
eurjchem-2177	1	46	)	)	PUNCT
eurjchem-2177	1	47	–	–	PUNCT
eurjchem-2177	2	1	copyright	copyright	NOUN
eurjchem-2177	2	2	©	©	PROPN
eurjchem-2177	2	3	2021	2021	NUM
eurjchem-2177	2	4	the	the	DET
eurjchem-2177	2	5	authors	author	NOUN
eurjchem-2177	2	6	–	–	PUNCT
eurjchem-2177	2	7	atlanta	atlanta	PROPN
eurjchem-2177	2	8	publishing	publishing	PROPN
eurjchem-2177	2	9	house	house	PROPN
eurjchem-2177	2	10	llc	llc	PROPN
eurjchem-2177	2	11	–	–	PUNCT
eurjchem-2177	2	12	printed	print	VERB
eurjchem-2177	2	13	in	in	ADP
eurjchem-2177	2	14	the	the	DET
eurjchem-2177	2	15	usa	usa	PROPN
eurjchem-2177	2	16	.	.	PUNCT
eurjchem-2177	3	1	this	this	DET
eurjchem-2177	3	2	work	work	NOUN
eurjchem-2177	3	3	is	be	AUX
eurjchem-2177	3	4	published	publish	VERB
eurjchem-2177	3	5	and	and	CCONJ
eurjchem-2177	3	6	licensed	license	VERB
eurjchem-2177	3	7	by	by	ADP
eurjchem-2177	3	8	atlanta	atlanta	PROPN
eurjchem-2177	3	9	publishing	publishing	PROPN
eurjchem-2177	3	10	house	house	PROPN
eurjchem-2177	3	11	llc	llc	PROPN
eurjchem-2177	3	12	–	–	PUNCT
eurjchem-2177	3	13	cc	cc	PROPN
eurjchem-2177	3	14	by	by	ADP
eurjchem-2177	3	15	nc	nc	PROPN
eurjchem-2177	3	16	–	–	PUNCT
eurjchem-2177	3	17	some	some	DET
eurjchem-2177	3	18	rights	right	NOUN
eurjchem-2177	3	19	reserved	reserve	VERB
eurjchem-2177	3	20	.	.	PUNCT
eurjchem-2177	4	1	https://dx.doi.org/10.5155/eurjchem.12.4.419-431.2177	https://dx.doi.org/10.5155/eurjchem.12.4.419-431.2177	NOUN
eurjchem-2177	4	2	european	european	ADJ
eurjchem-2177	4	3	journal	journal	PROPN
eurjchem-2177	4	4	of	of	ADP
eurjchem-2177	4	5	chemistry	chemistry	NOUN
eurjchem-2177	4	6	view	view	NOUN
eurjchem-2177	4	7	journal	journal	PROPN
eurjchem-2177	4	8	online	online	PROPN
eurjchem-2177	4	9	view	view	NOUN
eurjchem-2177	4	10	article	article	NOUN
eurjchem-2177	4	11	online	online	PROPN
eurjchem-2177	4	12	crystal	crystal	PROPN
eurjchem-2177	4	13	structure	structure	NOUN
eurjchem-2177	4	14	,	,	PUNCT
eurjchem-2177	4	15	hirshfeld	hirshfeld	PROPN
eurjchem-2177	4	16	surface	surface	NOUN
eurjchem-2177	4	17	,	,	PUNCT
eurjchem-2177	4	18	and	and	CCONJ
eurjchem-2177	4	19	dft	dft	PROPN
eurjchem-2177	4	20	studies	study	NOUN
eurjchem-2177	4	21	of	of	ADP
eurjchem-2177	4	22	4-((pyrrolidin-1	4-((pyrrolidin-1	PROPN
eurjchem-2177	4	23	-	-	PUNCT
eurjchem-2177	4	24	ylsulfonyl)methyl)aniline	ylsulfonyl)methyl)aniline	NUM
eurjchem-2177	4	25	soundararajan	soundararajan	PROPN
eurjchem-2177	4	26	krishnan	krishnan	PROPN
eurjchem-2177	4	27	1	1	NUM
eurjchem-2177	4	28	,	,	PUNCT
eurjchem-2177	4	29	thanigaimani	thanigaimani	PROPN
eurjchem-2177	4	30	kaliyaperumal	kaliyaperumal	PROPN
eurjchem-2177	4	31	2	2	NUM
eurjchem-2177	4	32	,	,	PUNCT
eurjchem-2177	4	33	ramalingam	ramalingam	ADJ
eurjchem-2177	4	34	marimuthu	marimuthu	NOUN
eurjchem-2177	4	35	3	3	NUM
eurjchem-2177	4	36	and	and	CCONJ
eurjchem-2177	4	37	sethuraman	sethuraman	PROPN
eurjchem-2177	4	38	velusamy	velusamy	PROPN
eurjchem-2177	4	39	1	1	NUM
eurjchem-2177	4	40	,	,	PUNCT
eurjchem-2177	4	41	*	*	PROPN
eurjchem-2177	4	42	1	1	NUM
eurjchem-2177	4	43	department	department	NOUN
eurjchem-2177	4	44	of	of	ADP
eurjchem-2177	4	45	chemistry	chemistry	NOUN
eurjchem-2177	4	46	,	,	PUNCT
eurjchem-2177	4	47	periyar	periyar	PROPN
eurjchem-2177	4	48	maniammai	maniammai	PROPN
eurjchem-2177	4	49	institute	institute	PROPN
eurjchem-2177	4	50	of	of	ADP
eurjchem-2177	4	51	science	science	NOUN
eurjchem-2177	4	52	and	and	CCONJ
eurjchem-2177	4	53	technology	technology	NOUN
eurjchem-2177	4	54	,	,	PUNCT
eurjchem-2177	4	55	vallam	vallam	NOUN
eurjchem-2177	4	56	613	613	NUM
eurjchem-2177	4	57	403	403	NUM
eurjchem-2177	4	58	,	,	PUNCT
eurjchem-2177	4	59	thanjavur	thanjavur	PROPN
eurjchem-2177	4	60	,	,	PUNCT
eurjchem-2177	4	61	tamil	tamil	PROPN
eurjchem-2177	4	62	nadu	nadu	PROPN
eurjchem-2177	4	63	,	,	PUNCT
eurjchem-2177	4	64	india	india	PROPN
eurjchem-2177	4	65	soundardk87@gmail.com	soundardk87@gmail.com	PROPN
eurjchem-2177	4	66	(	(	PUNCT
eurjchem-2177	4	67	k.s	k.s	PROPN
eurjchem-2177	4	68	.	.	PROPN
eurjchem-2177	4	69	)	)	PUNCT
eurjchem-2177	4	70	,	,	PUNCT
eurjchem-2177	4	71	xrdsethu@gmail.com	xrdsethu@gmail.com	X
eurjchem-2177	5	1	(	(	PUNCT
eurjchem-2177	5	2	v.s.	v.s.	ADJ
eurjchem-2177	5	3	)	)	PUNCT
eurjchem-2177	5	4	2	2	NUM
eurjchem-2177	5	5	department	department	NOUN
eurjchem-2177	5	6	of	of	ADP
eurjchem-2177	5	7	chemistry	chemistry	NOUN
eurjchem-2177	5	8	,	,	PUNCT
eurjchem-2177	5	9	government	government	NOUN
eurjchem-2177	5	10	arts	arts	PROPN
eurjchem-2177	5	11	college	college	PROPN
eurjchem-2177	5	12	,	,	PUNCT
eurjchem-2177	5	13	tiruchirappalli	tiruchirappalli	NOUN
eurjchem-2177	5	14	620	620	NUM
eurjchem-2177	5	15	022	022	NUM
eurjchem-2177	5	16	,	,	PUNCT
eurjchem-2177	5	17	tamil	tamil	PROPN
eurjchem-2177	5	18	nadu	nadu	PROPN
eurjchem-2177	5	19	,	,	PUNCT
eurjchem-2177	5	20	india	india	PROPN
eurjchem-2177	5	21	thanigaimani81@gmail.com	thanigaimani81@gmail.com	PROPN
eurjchem-2177	5	22	(	(	PUNCT
eurjchem-2177	5	23	k.t	k.t	PROPN
eurjchem-2177	5	24	.	.	PROPN
eurjchem-2177	5	25	)	)	PUNCT
eurjchem-2177	6	1	3	3	NUM
eurjchem-2177	6	2	department	department	NOUN
eurjchem-2177	6	3	of	of	ADP
eurjchem-2177	6	4	chemistry	chemistry	NOUN
eurjchem-2177	6	5	,	,	PUNCT
eurjchem-2177	6	6	bon	bon	PROPN
eurjchem-2177	6	7	secours	secours	PROPN
eurjchem-2177	6	8	college	college	PROPN
eurjchem-2177	6	9	for	for	ADP
eurjchem-2177	6	10	women	woman	NOUN
eurjchem-2177	6	11	,	,	PUNCT
eurjchem-2177	6	12	thanjavur	thanjavur	NOUN
eurjchem-2177	6	13	613	613	NUM
eurjchem-2177	6	14	006	006	NUM
eurjchem-2177	6	15	,	,	PUNCT
eurjchem-2177	6	16	tamil	tamil	PROPN
eurjchem-2177	6	17	nadu	nadu	NOUN
eurjchem-2177	6	18	,	,	PUNCT
eurjchem-2177	6	19	india	india	PROPN
eurjchem-2177	6	20	km_ramalingam@yahoo.co.in	km_ramalingam@yahoo.co.in	PROPN
eurjchem-2177	6	21	(	(	PUNCT
eurjchem-2177	6	22	m.r	m.r	PROPN
eurjchem-2177	6	23	.	.	PROPN
eurjchem-2177	6	24	)	)	PUNCT
eurjchem-2177	7	1	*	*	PUNCT
eurjchem-2177	7	2	corresponding	correspond	VERB
eurjchem-2177	7	3	author	author	NOUN
eurjchem-2177	7	4	at	at	ADP
eurjchem-2177	7	5	:	:	PUNCT
eurjchem-2177	7	6	department	department	NOUN
eurjchem-2177	7	7	of	of	ADP
eurjchem-2177	7	8	chemistry	chemistry	NOUN
eurjchem-2177	7	9	,	,	PUNCT
eurjchem-2177	7	10	periyar	periyar	PROPN
eurjchem-2177	7	11	maniammai	maniammai	PROPN
eurjchem-2177	7	12	institute	institute	PROPN
eurjchem-2177	7	13	of	of	ADP
eurjchem-2177	7	14	science	science	NOUN
eurjchem-2177	7	15	and	and	CCONJ
eurjchem-2177	7	16	technology	technology	NOUN
eurjchem-2177	7	17	,	,	PUNCT
eurjchem-2177	7	18	vallam	vallam	NOUN
eurjchem-2177	7	19	613	613	NUM
eurjchem-2177	7	20	403	403	NUM
eurjchem-2177	7	21	,	,	PUNCT
eurjchem-2177	7	22	thanjavur	thanjavur	PROPN
eurjchem-2177	7	23	,	,	PUNCT
eurjchem-2177	7	24	tamil	tamil	PROPN
eurjchem-2177	7	25	nadu	nadu	PROPN
eurjchem-2177	7	26	,	,	PUNCT
eurjchem-2177	7	27	india	india	PROPN
eurjchem-2177	7	28	.	.	PUNCT
eurjchem-2177	8	1	e	e	X
eurjchem-2177	8	2	-	-	NOUN
eurjchem-2177	8	3	mail	mail	NOUN
eurjchem-2177	8	4	:	:	PUNCT
eurjchem-2177	8	5	xrdsethu@gmail.com	xrdsethu@gmail.com	X
eurjchem-2177	9	1	(	(	PUNCT
eurjchem-2177	9	2	s.	s.	PROPN
eurjchem-2177	9	3	velusamy	velusamy	PROPN
eurjchem-2177	9	4	)	)	PUNCT
eurjchem-2177	9	5	.	.	PUNCT
eurjchem-2177	10	1	10.5155	10.5155	NUM
eurjchem-2177	10	2	/	/	SYM
eurjchem-2177	10	3	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	10	4	-	-	SYM
eurjchem-2177	10	5	431.2177	431.2177	NUM
eurjchem-2177	10	6	received	receive	VERB
eurjchem-2177	10	7	:	:	PUNCT
eurjchem-2177	10	8	13	13	NUM
eurjchem-2177	10	9	august	august	PROPN
eurjchem-2177	10	10	2021	2021	NUM
eurjchem-2177	10	11	received	receive	VERB
eurjchem-2177	10	12	in	in	ADP
eurjchem-2177	10	13	revised	revise	VERB
eurjchem-2177	10	14	form	form	NOUN
eurjchem-2177	10	15	:	:	PUNCT
eurjchem-2177	10	16	15	15	NUM
eurjchem-2177	10	17	october	october	NOUN
eurjchem-2177	10	18	2021	2021	NUM
eurjchem-2177	10	19	accepted	accept	VERB
eurjchem-2177	10	20	:	:	PUNCT
eurjchem-2177	10	21	16	16	NUM
eurjchem-2177	10	22	october	october	NOUN
eurjchem-2177	10	23	2021	2021	NUM
eurjchem-2177	10	24	published	publish	VERB
eurjchem-2177	10	25	online	online	ADV
eurjchem-2177	10	26	:	:	PUNCT
eurjchem-2177	10	27	31	31	NUM
eurjchem-2177	10	28	december	december	PROPN
eurjchem-2177	10	29	2021	2021	NUM
eurjchem-2177	10	30	printed	print	VERB
eurjchem-2177	10	31	:	:	PUNCT
eurjchem-2177	10	32	31	31	NUM
eurjchem-2177	10	33	december	december	PROPN
eurjchem-2177	10	34	2021	2021	NUM
eurjchem-2177	10	35	the	the	DET
eurjchem-2177	10	36	crystal	crystal	NOUN
eurjchem-2177	10	37	structure	structure	NOUN
eurjchem-2177	10	38	investigation	investigation	NOUN
eurjchem-2177	10	39	of	of	ADP
eurjchem-2177	10	40	the	the	DET
eurjchem-2177	10	41	title	title	NOUN
eurjchem-2177	10	42	compound	compound	NOUN
eurjchem-2177	10	43	4-((pyrrolidin-1	4-((pyrrolidin-1	NOUN
eurjchem-2177	10	44	-	-	PUNCT
eurjchem-2177	10	45	ylsulfonyl	ylsulfonyl	NOUN
eurjchem-2177	10	46	)	)	PUNCT
eurjchem-2177	10	47	methyl)aniline	methyl)aniline	PROPN
eurjchem-2177	10	48	(	(	PUNCT
eurjchem-2177	10	49	psma	psma	PROPN
eurjchem-2177	10	50	)	)	PUNCT
eurjchem-2177	10	51	c11h16n2o2s	c11h16n2o2s	PROPN
eurjchem-2177	10	52	shows	show	VERB
eurjchem-2177	10	53	that	that	SCONJ
eurjchem-2177	10	54	the	the	DET
eurjchem-2177	10	55	molecule	molecule	NOUN
eurjchem-2177	10	56	is	be	AUX
eurjchem-2177	10	57	essentially	essentially	ADV
eurjchem-2177	10	58	coplanar	coplanar	ADJ
eurjchem-2177	10	59	with	with	ADP
eurjchem-2177	10	60	a	a	DET
eurjchem-2177	10	61	dihedral	dihedral	ADJ
eurjchem-2177	10	62	angle	angle	NOUN
eurjchem-2177	10	63	of	of	ADP
eurjchem-2177	10	64	26.70(14	26.70(14	NUM
eurjchem-2177	10	65	)	)	PUNCT
eurjchem-2177	10	66	°	°	PROPN
eurjchem-2177	10	67	between	between	ADP
eurjchem-2177	10	68	the	the	DET
eurjchem-2177	10	69	pyrrolidine	pyrrolidine	NOUN
eurjchem-2177	10	70	and	and	CCONJ
eurjchem-2177	10	71	the	the	DET
eurjchem-2177	10	72	benzene	benzene	NOUN
eurjchem-2177	10	73	rings	ring	NOUN
eurjchem-2177	10	74	.	.	PUNCT
eurjchem-2177	11	1	a	a	DET
eurjchem-2177	11	2	pair	pair	NOUN
eurjchem-2177	11	3	of	of	ADP
eurjchem-2177	11	4	strong	strong	ADJ
eurjchem-2177	11	5	n	n	CCONJ
eurjchem-2177	11	6	-	-	PUNCT
eurjchem-2177	11	7	h···o	h···o	PROPN
eurjchem-2177	11	8	hydrogen	hydrogen	NOUN
eurjchem-2177	11	9	bonds	bond	NOUN
eurjchem-2177	11	10	produces	produce	VERB
eurjchem-2177	11	11	continuous	continuous	ADJ
eurjchem-2177	11	12	two	two	NUM
eurjchem-2177	11	13	-	-	PUNCT
eurjchem-2177	11	14	dimensional	dimensional	ADJ
eurjchem-2177	11	15	sheets	sheet	NOUN
eurjchem-2177	11	16	with	with	ADP
eurjchem-2177	11	17	r22(18	r22(18	NOUN
eurjchem-2177	11	18	)	)	PUNCT
eurjchem-2177	11	19	ring	ring	NOUN
eurjchem-2177	11	20	motifs	motif	NOUN
eurjchem-2177	11	21	.	.	PUNCT
eurjchem-2177	12	1	the	the	DET
eurjchem-2177	12	2	crystal	crystal	NOUN
eurjchem-2177	12	3	structure	structure	NOUN
eurjchem-2177	12	4	also	also	ADV
eurjchem-2177	12	5	features	feature	VERB
eurjchem-2177	12	6	a	a	DET
eurjchem-2177	12	7	weak	weak	ADJ
eurjchem-2177	12	8	c	c	NOUN
eurjchem-2177	12	9	-	-	PUNCT
eurjchem-2177	12	10	h···π	h···π	PROPN
eurjchem-2177	12	11	interaction	interaction	NOUN
eurjchem-2177	12	12	resulting	result	VERB
eurjchem-2177	12	13	in	in	ADP
eurjchem-2177	12	14	a	a	DET
eurjchem-2177	12	15	threedimensional	threedimensional	ADJ
eurjchem-2177	12	16	network	network	NOUN
eurjchem-2177	12	17	.	.	PUNCT
eurjchem-2177	13	1	density	density	NOUN
eurjchem-2177	13	2	functional	functional	ADJ
eurjchem-2177	13	3	theory	theory	NOUN
eurjchem-2177	13	4	(	(	PUNCT
eurjchem-2177	13	5	dft	dft	NOUN
eurjchem-2177	13	6	)	)	PUNCT
eurjchem-2177	13	7	calculations	calculation	NOUN
eurjchem-2177	13	8	reveal	reveal	VERB
eurjchem-2177	13	9	that	that	SCONJ
eurjchem-2177	13	10	the	the	DET
eurjchem-2177	13	11	experimental	experimental	ADJ
eurjchem-2177	13	12	and	and	CCONJ
eurjchem-2177	13	13	calculated	calculate	VERB
eurjchem-2177	13	14	geometric	geometric	ADJ
eurjchem-2177	13	15	parameters	parameter	NOUN
eurjchem-2177	13	16	of	of	ADP
eurjchem-2177	13	17	the	the	DET
eurjchem-2177	13	18	molecule	molecule	NOUN
eurjchem-2177	13	19	are	be	AUX
eurjchem-2177	13	20	nearly	nearly	ADV
eurjchem-2177	13	21	the	the	DET
eurjchem-2177	13	22	same	same	ADJ
eurjchem-2177	13	23	.	.	PUNCT
eurjchem-2177	14	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	14	2	surface	surface	NOUN
eurjchem-2177	14	3	analysis	analysis	NOUN
eurjchem-2177	14	4	has	have	AUX
eurjchem-2177	14	5	been	be	AUX
eurjchem-2177	14	6	carried	carry	VERB
eurjchem-2177	14	7	out	out	ADP
eurjchem-2177	14	8	to	to	PART
eurjchem-2177	14	9	study	study	VERB
eurjchem-2177	14	10	the	the	DET
eurjchem-2177	14	11	various	various	ADJ
eurjchem-2177	14	12	intermolecular	intermolecular	ADJ
eurjchem-2177	14	13	interactions	interaction	NOUN
eurjchem-2177	14	14	responsible	responsible	ADJ
eurjchem-2177	14	15	for	for	ADP
eurjchem-2177	14	16	the	the	DET
eurjchem-2177	14	17	crystal	crystal	NOUN
eurjchem-2177	14	18	packing	packing	NOUN
eurjchem-2177	14	19	.	.	PUNCT
eurjchem-2177	15	1	theoretical	theoretical	ADJ
eurjchem-2177	15	2	calculations	calculation	NOUN
eurjchem-2177	15	3	indicate	indicate	VERB
eurjchem-2177	15	4	an	an	DET
eurjchem-2177	15	5	excellent	excellent	ADJ
eurjchem-2177	15	6	correlation	correlation	NOUN
eurjchem-2177	15	7	between	between	ADP
eurjchem-2177	15	8	the	the	DET
eurjchem-2177	15	9	experimental	experimental	NOUN
eurjchem-2177	15	10	and	and	CCONJ
eurjchem-2177	15	11	the	the	DET
eurjchem-2177	15	12	simulated	simulated	ADJ
eurjchem-2177	15	13	uv	uv	NOUN
eurjchem-2177	15	14	spectra	spectra	NOUN
eurjchem-2177	15	15	.	.	PUNCT
eurjchem-2177	16	1	sulfonamide	sulfonamide	NOUN
eurjchem-2177	16	2	drugs	drug	NOUN
eurjchem-2177	16	3	electronic	electronic	ADJ
eurjchem-2177	16	4	spectrum	spectrum	NOUN
eurjchem-2177	16	5	density	density	NOUN
eurjchem-2177	16	6	function	function	NOUN
eurjchem-2177	16	7	theory	theory	NOUN
eurjchem-2177	16	8	computational	computational	ADJ
eurjchem-2177	16	9	chemistry	chemistry	NOUN
eurjchem-2177	16	10	hirshfeld	hirshfeld	NOUN
eurjchem-2177	16	11	surface	surface	NOUN
eurjchem-2177	16	12	analysis	analysis	NOUN
eurjchem-2177	16	13	single	single	ADJ
eurjchem-2177	16	14	crystal	crystal	NOUN
eurjchem-2177	16	15	x	x	PROPN
eurjchem-2177	16	16	-	-	NOUN
eurjchem-2177	16	17	ray	ray	NOUN
eurjchem-2177	16	18	diffraction	diffraction	NOUN
eurjchem-2177	16	19	cite	cite	VERB
eurjchem-2177	16	20	this	this	PRON
eurjchem-2177	16	21	:	:	PUNCT
eurjchem-2177	16	22	eur	eur	PROPN
eurjchem-2177	16	23	.	.	PUNCT
eurjchem-2177	17	1	j.	j.	PROPN
eurjchem-2177	17	2	chem	chem	PROPN
eurjchem-2177	17	3	.	.	PUNCT
eurjchem-2177	18	1	2021	2021	NUM
eurjchem-2177	18	2	,	,	PUNCT
eurjchem-2177	18	3	12(4	12(4	NUM
eurjchem-2177	18	4	)	)	PUNCT
eurjchem-2177	18	5	,	,	PUNCT
eurjchem-2177	18	6	419	419	NUM
eurjchem-2177	18	7	-	-	SYM
eurjchem-2177	18	8	431	431	NUM
eurjchem-2177	18	9	journal	journal	NOUN
eurjchem-2177	18	10	website	website	NOUN
eurjchem-2177	18	11	:	:	PUNCT
eurjchem-2177	18	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2177	18	13	1	1	X
eurjchem-2177	18	14	.	.	PUNCT
eurjchem-2177	18	15	introduction	introduction	NOUN
eurjchem-2177	18	16	aromatic	aromatic	ADJ
eurjchem-2177	18	17	amines	amine	NOUN
eurjchem-2177	18	18	and	and	CCONJ
eurjchem-2177	18	19	their	their	PRON
eurjchem-2177	18	20	derivatives	derivative	NOUN
eurjchem-2177	18	21	are	be	AUX
eurjchem-2177	18	22	of	of	ADP
eurjchem-2177	18	23	great	great	ADJ
eurjchem-2177	18	24	importance	importance	NOUN
eurjchem-2177	18	25	in	in	ADP
eurjchem-2177	18	26	various	various	ADJ
eurjchem-2177	18	27	fields	field	NOUN
eurjchem-2177	18	28	such	such	ADJ
eurjchem-2177	18	29	as	as	ADP
eurjchem-2177	18	30	biology	biology	NOUN
eurjchem-2177	18	31	,	,	PUNCT
eurjchem-2177	18	32	agriculture	agriculture	NOUN
eurjchem-2177	18	33	,	,	PUNCT
eurjchem-2177	18	34	pharmaceutics	pharmaceutic	NOUN
eurjchem-2177	18	35	,	,	PUNCT
eurjchem-2177	18	36	and	and	CCONJ
eurjchem-2177	18	37	industry	industry	NOUN
eurjchem-2177	18	38	.	.	PUNCT
eurjchem-2177	19	1	acetanilide	acetanilide	ADV
eurjchem-2177	19	2	and	and	CCONJ
eurjchem-2177	19	3	phenacetin	phenacetin	NOUN
eurjchem-2177	19	4	were	be	AUX
eurjchem-2177	19	5	used	use	VERB
eurjchem-2177	19	6	as	as	ADP
eurjchem-2177	19	7	analgesic	analgesic	ADJ
eurjchem-2177	19	8	and	and	CCONJ
eurjchem-2177	19	9	cardiac	cardiac	ADJ
eurjchem-2177	19	10	drugs	drug	NOUN
eurjchem-2177	19	11	along	along	ADP
eurjchem-2177	19	12	with	with	ADP
eurjchem-2177	19	13	caffeine	caffeine	NOUN
eurjchem-2177	19	14	[	[	X
eurjchem-2177	19	15	1	1	NUM
eurjchem-2177	19	16	]	]	PUNCT
eurjchem-2177	19	17	.	.	PUNCT
eurjchem-2177	20	1	after	after	ADP
eurjchem-2177	20	2	the	the	DET
eurjchem-2177	20	3	discovery	discovery	NOUN
eurjchem-2177	20	4	of	of	ADP
eurjchem-2177	20	5	the	the	DET
eurjchem-2177	20	6	first	first	ADJ
eurjchem-2177	20	7	'	'	PUNCT
eurjchem-2177	20	8	miracle	miracle	NOUN
eurjchem-2177	20	9	drug	drug	NOUN
eurjchem-2177	20	10	'	'	PUNCT
eurjchem-2177	20	11	prontosil	prontosil	NOUN
eurjchem-2177	20	12	in	in	ADP
eurjchem-2177	20	13	1932	1932	NUM
eurjchem-2177	20	14	[	[	X
eurjchem-2177	20	15	2	2	NUM
eurjchem-2177	20	16	]	]	PUNCT
eurjchem-2177	20	17	,	,	PUNCT
eurjchem-2177	20	18	numerous	numerous	ADJ
eurjchem-2177	20	19	sulfa	sulfa	NOUN
eurjchem-2177	20	20	drugs	drug	NOUN
eurjchem-2177	20	21	emerged	emerge	VERB
eurjchem-2177	20	22	during	during	ADP
eurjchem-2177	20	23	the	the	DET
eurjchem-2177	20	24	second	second	ADJ
eurjchem-2177	20	25	world	world	NOUN
eurjchem-2177	20	26	war	war	PROPN
eurjchem-2177	20	27	.	.	PUNCT
eurjchem-2177	21	1	sulfa	sulfa	NOUN
eurjchem-2177	21	2	drugs	drug	NOUN
eurjchem-2177	21	3	are	be	AUX
eurjchem-2177	21	4	sulfonamides	sulfonamide	NOUN
eurjchem-2177	21	5	that	that	PRON
eurjchem-2177	21	6	contain	contain	VERB
eurjchem-2177	21	7	the	the	DET
eurjchem-2177	21	8	-so2nh2	-so2nh2	PROPN
eurjchem-2177	21	9	and/or	and/or	CCONJ
eurjchem-2177	21	10	-so2nhgroup(s	-so2nhgroup(s	INTJ
eurjchem-2177	21	11	)	)	PUNCT
eurjchem-2177	21	12	that	that	PRON
eurjchem-2177	21	13	inhibit	inhibit	VERB
eurjchem-2177	21	14	the	the	DET
eurjchem-2177	21	15	synthesis	synthesis	NOUN
eurjchem-2177	21	16	of	of	ADP
eurjchem-2177	21	17	folic	folic	ADJ
eurjchem-2177	21	18	acid	acid	NOUN
eurjchem-2177	21	19	in	in	ADP
eurjchem-2177	21	20	microorganisms	microorganism	NOUN
eurjchem-2177	21	21	[	[	X
eurjchem-2177	21	22	3	3	NUM
eurjchem-2177	21	23	]	]	PUNCT
eurjchem-2177	21	24	.	.	PUNCT
eurjchem-2177	22	1	a	a	DET
eurjchem-2177	22	2	wide	wide	ADJ
eurjchem-2177	22	3	range	range	NOUN
eurjchem-2177	22	4	of	of	ADP
eurjchem-2177	22	5	aryland	aryland	NOUN
eurjchem-2177	22	6	heteroaryl	heteroaryl	NOUN
eurjchem-2177	22	7	sulfonamides	sulfonamide	NOUN
eurjchem-2177	22	8	having	have	VERB
eurjchem-2177	22	9	different	different	ADJ
eurjchem-2177	22	10	biological	biological	ADJ
eurjchem-2177	22	11	activities	activity	NOUN
eurjchem-2177	22	12	have	have	AUX
eurjchem-2177	22	13	been	be	AUX
eurjchem-2177	22	14	synthesized	synthesize	VERB
eurjchem-2177	22	15	[	[	PUNCT
eurjchem-2177	22	16	4	4	NUM
eurjchem-2177	22	17	-	-	SYM
eurjchem-2177	22	18	9	9	NUM
eurjchem-2177	22	19	]	]	PUNCT
eurjchem-2177	22	20	.	.	PUNCT
eurjchem-2177	23	1	they	they	PRON
eurjchem-2177	23	2	have	have	VERB
eurjchem-2177	23	3	a	a	DET
eurjchem-2177	23	4	spectrum	spectrum	NOUN
eurjchem-2177	23	5	of	of	ADP
eurjchem-2177	23	6	pharmacological	pharmacological	ADJ
eurjchem-2177	23	7	properties	property	NOUN
eurjchem-2177	23	8	,	,	PUNCT
eurjchem-2177	23	9	such	such	ADJ
eurjchem-2177	23	10	as	as	ADP
eurjchem-2177	23	11	antitumor	antitumor	PROPN
eurjchem-2177	23	12	[	[	X
eurjchem-2177	23	13	10	10	NUM
eurjchem-2177	23	14	]	]	PUNCT
eurjchem-2177	23	15	,	,	PUNCT
eurjchem-2177	23	16	antibacterial	antibacterial	ADJ
eurjchem-2177	23	17	[	[	X
eurjchem-2177	23	18	11	11	NUM
eurjchem-2177	23	19	]	]	PUNCT
eurjchem-2177	23	20	,	,	PUNCT
eurjchem-2177	23	21	anticarbonic	anticarbonic	VERB
eurjchem-2177	23	22	anhydrase	anhydrase	NOUN
eurjchem-2177	23	23	[	[	X
eurjchem-2177	23	24	12,13	12,13	NUM
eurjchem-2177	23	25	]	]	PUNCT
eurjchem-2177	23	26	,	,	PUNCT
eurjchem-2177	23	27	diuretic	diuretic	ADJ
eurjchem-2177	23	28	[	[	X
eurjchem-2177	23	29	14,15	14,15	NUM
eurjchem-2177	23	30	]	]	PUNCT
eurjchem-2177	23	31	,	,	PUNCT
eurjchem-2177	23	32	hypoglycemic	hypoglycemic	ADJ
eurjchem-2177	23	33	[	[	X
eurjchem-2177	23	34	16	16	NUM
eurjchem-2177	23	35	]	]	PUNCT
eurjchem-2177	23	36	,	,	PUNCT
eurjchem-2177	23	37	protease	protease	NOUN
eurjchem-2177	23	38	inhibitory	inhibitory	ADJ
eurjchem-2177	23	39	activities	activity	NOUN
eurjchem-2177	23	40	[	[	X
eurjchem-2177	23	41	17	17	NUM
eurjchem-2177	23	42	-	-	SYM
eurjchem-2177	23	43	19	19	NUM
eurjchem-2177	23	44	]	]	PUNCT
eurjchem-2177	23	45	and	and	CCONJ
eurjchem-2177	23	46	antithyroid	antithyroid	ADJ
eurjchem-2177	23	47	activity	activity	NOUN
eurjchem-2177	23	48	[	[	X
eurjchem-2177	23	49	20	20	NUM
eurjchem-2177	23	50	]	]	PUNCT
eurjchem-2177	23	51	.	.	PUNCT
eurjchem-2177	24	1	they	they	PRON
eurjchem-2177	24	2	are	be	AUX
eurjchem-2177	24	3	also	also	ADV
eurjchem-2177	24	4	used	use	VERB
eurjchem-2177	24	5	for	for	ADP
eurjchem-2177	24	6	the	the	DET
eurjchem-2177	24	7	treatment	treatment	NOUN
eurjchem-2177	24	8	of	of	ADP
eurjchem-2177	24	9	tonsillitis	tonsillitis	NOUN
eurjchem-2177	24	10	,	,	PUNCT
eurjchem-2177	24	11	septicemia	septicemia	NOUN
eurjchem-2177	24	12	,	,	PUNCT
eurjchem-2177	24	13	meningococcal	meningococcal	ADJ
eurjchem-2177	24	14	meningitis	meningitis	NOUN
eurjchem-2177	24	15	,	,	PUNCT
eurjchem-2177	24	16	bacillary	bacillary	ADJ
eurjchem-2177	24	17	dysentery	dysentery	NOUN
eurjchem-2177	24	18	and	and	CCONJ
eurjchem-2177	24	19	urinary	urinary	ADJ
eurjchem-2177	24	20	tract	tract	NOUN
eurjchem-2177	24	21	infections	infection	NOUN
eurjchem-2177	24	22	[	[	X
eurjchem-2177	24	23	21	21	NUM
eurjchem-2177	24	24	]	]	PUNCT
eurjchem-2177	24	25	.	.	PUNCT
eurjchem-2177	25	1	the	the	DET
eurjchem-2177	25	2	substituents	substituent	NOUN
eurjchem-2177	25	3	and	and	CCONJ
eurjchem-2177	25	4	their	their	PRON
eurjchem-2177	25	5	position	position	NOUN
eurjchem-2177	25	6	in	in	ADP
eurjchem-2177	25	7	the	the	DET
eurjchem-2177	25	8	benzene	benzene	NOUN
eurjchem-2177	25	9	ring	ring	NOUN
eurjchem-2177	25	10	of	of	ADP
eurjchem-2177	25	11	sulfonamides	sulfonamide	NOUN
eurjchem-2177	25	12	determine	determine	VERB
eurjchem-2177	25	13	the	the	DET
eurjchem-2177	25	14	antimicrobial	antimicrobial	ADJ
eurjchem-2177	25	15	activity	activity	NOUN
eurjchem-2177	25	16	.	.	PUNCT
eurjchem-2177	26	1	sulfonamides	sulfonamide	NOUN
eurjchem-2177	26	2	are	be	AUX
eurjchem-2177	26	3	bacteriostatic	bacteriostatic	ADJ
eurjchem-2177	26	4	in	in	ADP
eurjchem-2177	26	5	nature	nature	NOUN
eurjchem-2177	26	6	.	.	PUNCT
eurjchem-2177	27	1	microorganisms	microorganism	NOUN
eurjchem-2177	27	2	require	require	VERB
eurjchem-2177	27	3	pamino	pamino	ADJ
eurjchem-2177	27	4	benzoic	benzoic	PROPN
eurjchem-2177	27	5	acid	acid	NOUN
eurjchem-2177	27	6	(	(	PUNCT
eurjchem-2177	27	7	paba	paba	PROPN
eurjchem-2177	27	8	)	)	PUNCT
eurjchem-2177	27	9	for	for	ADP
eurjchem-2177	27	10	the	the	DET
eurjchem-2177	27	11	synthesis	synthesis	NOUN
eurjchem-2177	27	12	of	of	ADP
eurjchem-2177	27	13	folic	folic	ADJ
eurjchem-2177	27	14	acid	acid	NOUN
eurjchem-2177	27	15	involved	involve	VERB
eurjchem-2177	27	16	in	in	ADP
eurjchem-2177	27	17	the	the	DET
eurjchem-2177	27	18	synthesis	synthesis	NOUN
eurjchem-2177	27	19	of	of	ADP
eurjchem-2177	27	20	dna	dna	NOUN
eurjchem-2177	27	21	and	and	CCONJ
eurjchem-2177	27	22	rna	rna	PROPN
eurjchem-2177	27	23	.	.	PUNCT
eurjchem-2177	28	1	sulfonamides	sulfonamide	NOUN
eurjchem-2177	28	2	inhibit	inhibit	VERB
eurjchem-2177	28	3	paba	paba	NOUN
eurjchem-2177	28	4	due	due	ADP
eurjchem-2177	28	5	to	to	ADP
eurjchem-2177	28	6	their	their	PRON
eurjchem-2177	28	7	structural	structural	ADJ
eurjchem-2177	28	8	resemblance	resemblance	NOUN
eurjchem-2177	28	9	which	which	PRON
eurjchem-2177	28	10	causes	cause	VERB
eurjchem-2177	28	11	folic	folic	ADJ
eurjchem-2177	28	12	acid	acid	NOUN
eurjchem-2177	28	13	deficiency	deficiency	NOUN
eurjchem-2177	28	14	,	,	PUNCT
eurjchem-2177	28	15	resulting	result	VERB
eurjchem-2177	28	16	in	in	ADP
eurjchem-2177	28	17	inhibition	inhibition	NOUN
eurjchem-2177	28	18	of	of	ADP
eurjchem-2177	28	19	bacterial	bacterial	ADJ
eurjchem-2177	28	20	growth	growth	NOUN
eurjchem-2177	28	21	and	and	CCONJ
eurjchem-2177	28	22	cell	cell	NOUN
eurjchem-2177	28	23	division	division	NOUN
eurjchem-2177	28	24	[	[	X
eurjchem-2177	28	25	21	21	NUM
eurjchem-2177	28	26	]	]	PUNCT
eurjchem-2177	28	27	.	.	PUNCT
eurjchem-2177	29	1	most	most	ADJ
eurjchem-2177	29	2	of	of	ADP
eurjchem-2177	29	3	the	the	DET
eurjchem-2177	29	4	sulfa	sulfa	NOUN
eurjchem-2177	29	5	drugs	drug	NOUN
eurjchem-2177	29	6	are	be	AUX
eurjchem-2177	29	7	secondary	secondary	ADJ
eurjchem-2177	29	8	sulfonamides	sulfonamide	NOUN
eurjchem-2177	29	9	,	,	PUNCT
eurjchem-2177	29	10	and	and	CCONJ
eurjchem-2177	29	11	some	some	DET
eurjchem-2177	29	12	examples	example	NOUN
eurjchem-2177	29	13	of	of	ADP
eurjchem-2177	29	14	the	the	DET
eurjchem-2177	29	15	drugs	drug	NOUN
eurjchem-2177	29	16	having	have	VERB
eurjchem-2177	29	17	p	p	NOUN
eurjchem-2177	29	18	-	-	PUNCT
eurjchem-2177	29	19	aminobenzene	aminobenzene	NOUN
eurjchem-2177	29	20	derivatives	derivative	NOUN
eurjchem-2177	29	21	are	be	AUX
eurjchem-2177	29	22	almotriptan	almotriptan	ADJ
eurjchem-2177	29	23	,	,	PUNCT
eurjchem-2177	29	24	sulfapyridine	sulfapyridine	NOUN
eurjchem-2177	29	25	,	,	PUNCT
eurjchem-2177	29	26	sulfamethoxazole	sulfamethoxazole	NOUN
eurjchem-2177	29	27	,	,	PUNCT
eurjchem-2177	29	28	and	and	CCONJ
eurjchem-2177	29	29	sulfadiazine	sulfadiazine	NOUN
eurjchem-2177	29	30	.	.	PUNCT
eurjchem-2177	30	1	4-((pyrrolidin-1	4-((pyrrolidin-1	NOUN
eurjchem-2177	30	2	-	-	SYM
eurjchem-2177	30	3	ylsulfonyl)methyl)aniline	ylsulfonyl)methyl)aniline	NOUN
eurjchem-2177	30	4	is	be	AUX
eurjchem-2177	30	5	the	the	DET
eurjchem-2177	30	6	starting	starting	NOUN
eurjchem-2177	30	7	material	material	NOUN
eurjchem-2177	30	8	of	of	ADP
eurjchem-2177	30	9	almotriptan	almotriptan	ADJ
eurjchem-2177	30	10	,	,	PUNCT
eurjchem-2177	30	11	the	the	DET
eurjchem-2177	30	12	structures	structure	NOUN
eurjchem-2177	30	13	of	of	ADP
eurjchem-2177	30	14	both	both	PRON
eurjchem-2177	30	15	being	be	AUX
eurjchem-2177	30	16	shown	show	VERB
eurjchem-2177	30	17	in	in	ADP
eurjchem-2177	30	18	figure	figure	NOUN
eurjchem-2177	30	19	1a	1a	NOUN
eurjchem-2177	30	20	and	and	CCONJ
eurjchem-2177	30	21	b	b	NOUN
eurjchem-2177	30	22	,	,	PUNCT
eurjchem-2177	30	23	which	which	PRON
eurjchem-2177	30	24	is	be	AUX
eurjchem-2177	30	25	a	a	DET
eurjchem-2177	30	26	selective	selective	ADJ
eurjchem-2177	30	27	serotonin	serotonin	VERB
eurjchem-2177	30	28	5	5	NUM
eurjchem-2177	30	29	-	-	PUNCT
eurjchem-2177	30	30	ht1b/1d	ht1b/1d	NOUN
eurjchem-2177	30	31	receptor	receptor	NOUN
eurjchem-2177	30	32	agonist	agonist	NOUN
eurjchem-2177	30	33	and	and	CCONJ
eurjchem-2177	30	34	is	be	AUX
eurjchem-2177	30	35	a	a	DET
eurjchem-2177	30	36	second	second	ADJ
eurjchem-2177	30	37	generation	generation	NOUN
eurjchem-2177	30	38	triptan	triptan	ADJ
eurjchem-2177	30	39	(	(	PUNCT
eurjchem-2177	30	40	tryptamine	tryptamine	NOUN
eurjchem-2177	30	41	-	-	PUNCT
eurjchem-2177	30	42	based	base	VERB
eurjchem-2177	30	43	drug	drug	NOUN
eurjchem-2177	30	44	)	)	PUNCT
eurjchem-2177	30	45	used	use	VERB
eurjchem-2177	30	46	in	in	ADP
eurjchem-2177	30	47	acute	acute	ADJ
eurjchem-2177	30	48	treatment	treatment	NOUN
eurjchem-2177	30	49	of	of	ADP
eurjchem-2177	30	50	migraine	migraine	NOUN
eurjchem-2177	30	51	attacks	attack	NOUN
eurjchem-2177	30	52	[	[	X
eurjchem-2177	30	53	22	22	NUM
eurjchem-2177	30	54	]	]	PUNCT
eurjchem-2177	30	55	.	.	PUNCT
eurjchem-2177	31	1	the	the	DET
eurjchem-2177	31	2	crystallographic	crystallographic	ADJ
eurjchem-2177	31	3	,	,	PUNCT
eurjchem-2177	31	4	computational	computational	ADJ
eurjchem-2177	31	5	,	,	PUNCT
eurjchem-2177	31	6	and	and	CCONJ
eurjchem-2177	31	7	hirshfeld	hirshfeld	PROPN
eurjchem-2177	31	8	surface	surface	NOUN
eurjchem-2177	31	9	analysis	analysis	NOUN
eurjchem-2177	31	10	of	of	ADP
eurjchem-2177	31	11	psma	psma	NOUN
eurjchem-2177	31	12	have	have	AUX
eurjchem-2177	31	13	been	be	AUX
eurjchem-2177	31	14	undertaken	undertake	VERB
eurjchem-2177	31	15	in	in	ADP
eurjchem-2177	31	16	the	the	DET
eurjchem-2177	31	17	present	present	ADJ
eurjchem-2177	31	18	work	work	NOUN
eurjchem-2177	31	19	.	.	PUNCT
eurjchem-2177	32	1	abstract	abstract	ADJ
eurjchem-2177	32	2	research	research	NOUN
eurjchem-2177	32	3	article	article	NOUN
eurjchem-2177	32	4	keywords	keyword	VERB
eurjchem-2177	32	5	https://dx.doi.org/10.5155/eurjchem.12.4.419-431.2177	https://dx.doi.org/10.5155/eurjchem.12.4.419-431.2177	PRON
eurjchem-2177	32	6	https://www.eurjchem.com/	https://www.eurjchem.com/	VERB
eurjchem-2177	32	7	https://dx.doi.org/10.5155/eurjchem.12.4.419-431.2177	https://dx.doi.org/10.5155/eurjchem.12.4.419-431.2177	NOUN
eurjchem-2177	32	8	mailto:soundardk87@gmail.com	mailto:soundardk87@gmail.com	X
eurjchem-2177	32	9	mailto:xrdsethu@gmail.com	mailto:xrdsethu@gmail.com	X
eurjchem-2177	32	10	mailto:thanigaimani81@gmail.com	mailto:thanigaimani81@gmail.com	PROPN
eurjchem-2177	32	11	mailto:km_ramalingam@yahoo.co.in	mailto:km_ramalingam@yahoo.co.in	PROPN
eurjchem-2177	32	12	mailto:xrdsethu@gmail.com	mailto:xrdsethu@gmail.com	PROPN
eurjchem-2177	32	13	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2177	32	14	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.4.419-431.2177&domain=pdf&date_stamp=2021-12-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.12.4.419-431.2177&domain=pdf&date_stamp=2021-12-31	PROPN
eurjchem-2177	32	15	420	420	NUM
eurjchem-2177	32	16	krishnan	krishnan	PROPN
eurjchem-2177	32	17	et	et	PROPN
eurjchem-2177	32	18	al	al	PROPN
eurjchem-2177	32	19	.	.	PUNCT
eurjchem-2177	32	20	/	/	SYM
eurjchem-2177	32	21	european	european	PROPN
eurjchem-2177	32	22	journal	journal	PROPN
eurjchem-2177	32	23	of	of	ADP
eurjchem-2177	32	24	chemistry	chemistry	NOUN
eurjchem-2177	32	25	12	12	NUM
eurjchem-2177	32	26	(	(	PUNCT
eurjchem-2177	32	27	4	4	NUM
eurjchem-2177	32	28	)	)	PUNCT
eurjchem-2177	32	29	(	(	PUNCT
eurjchem-2177	32	30	2021	2021	NUM
eurjchem-2177	32	31	)	)	PUNCT
eurjchem-2177	32	32	419	419	NUM
eurjchem-2177	32	33	-	-	SYM
eurjchem-2177	32	34	431	431	NUM
eurjchem-2177	32	35	2021	2021	NUM
eurjchem-2177	32	36	–	–	PUNCT
eurjchem-2177	32	37	european	european	ADJ
eurjchem-2177	32	38	journal	journal	NOUN
eurjchem-2177	32	39	of	of	ADP
eurjchem-2177	32	40	chemistry	chemistry	NOUN
eurjchem-2177	32	41	–	–	PUNCT
eurjchem-2177	32	42	cc	cc	NOUN
eurjchem-2177	32	43	by	by	ADP
eurjchem-2177	32	44	nc	nc	PROPN
eurjchem-2177	32	45	–	–	PUNCT
eurjchem-2177	32	46	doi	doi	NOUN
eurjchem-2177	32	47	:	:	PUNCT
eurjchem-2177	32	48	10.5155	10.5155	NUM
eurjchem-2177	32	49	/	/	SYM
eurjchem-2177	32	50	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	32	51	-	-	ADJ
eurjchem-2177	32	52	431.2177	431.2177	NUM
eurjchem-2177	32	53	table	table	NOUN
eurjchem-2177	32	54	1	1	NUM
eurjchem-2177	32	55	.	.	PUNCT
eurjchem-2177	32	56	crystal	crystal	NOUN
eurjchem-2177	32	57	data	datum	NOUN
eurjchem-2177	32	58	and	and	CCONJ
eurjchem-2177	32	59	structure	structure	NOUN
eurjchem-2177	32	60	refinement	refinement	NOUN
eurjchem-2177	32	61	for	for	ADP
eurjchem-2177	32	62	psma	psma	NOUN
eurjchem-2177	32	63	.	.	PUNCT
eurjchem-2177	33	1	empirical	empirical	ADJ
eurjchem-2177	33	2	formula	formula	NOUN
eurjchem-2177	33	3	c11h16n2o2s	c11h16n2o2s	PROPN
eurjchem-2177	33	4	formula	formula	NOUN
eurjchem-2177	33	5	weight	weight	NOUN
eurjchem-2177	33	6	240.32	240.32	NUM
eurjchem-2177	33	7	temperature	temperature	NOUN
eurjchem-2177	33	8	(	(	PUNCT
eurjchem-2177	33	9	k	k	NOUN
eurjchem-2177	33	10	)	)	PUNCT
eurjchem-2177	33	11	293(2	293(2	NUM
eurjchem-2177	33	12	)	)	PUNCT
eurjchem-2177	33	13	crystal	crystal	NOUN
eurjchem-2177	33	14	system	system	NOUN
eurjchem-2177	33	15	monoclinic	monoclinic	ADJ
eurjchem-2177	33	16	space	space	NOUN
eurjchem-2177	33	17	group	group	NOUN
eurjchem-2177	33	18	p21	p21	PROPN
eurjchem-2177	33	19	/	/	SYM
eurjchem-2177	33	20	n	n	PROPN
eurjchem-2177	33	21	a	a	NOUN
eurjchem-2177	33	22	,	,	PUNCT
eurjchem-2177	33	23	(	(	PUNCT
eurjchem-2177	33	24	å	å	NOUN
eurjchem-2177	33	25	)	)	PUNCT
eurjchem-2177	33	26	13.736(5	13.736(5	NUM
eurjchem-2177	33	27	)	)	PUNCT
eurjchem-2177	33	28	b	b	PROPN
eurjchem-2177	33	29	,	,	PUNCT
eurjchem-2177	33	30	(	(	PUNCT
eurjchem-2177	33	31	å	å	NOUN
eurjchem-2177	33	32	)	)	PUNCT
eurjchem-2177	33	33	5.807(5	5.807(5	NUM
eurjchem-2177	33	34	)	)	PUNCT
eurjchem-2177	33	35	c	c	NOUN
eurjchem-2177	33	36	,	,	PUNCT
eurjchem-2177	33	37	(	(	PUNCT
eurjchem-2177	33	38	å	å	NOUN
eurjchem-2177	33	39	)	)	PUNCT
eurjchem-2177	33	40	16.079(5	16.079(5	NOUN
eurjchem-2177	33	41	)	)	PUNCT
eurjchem-2177	33	42	α	α	PROPN
eurjchem-2177	33	43	(	(	PUNCT
eurjchem-2177	33	44	°	°	PROPN
eurjchem-2177	33	45	)	)	PUNCT
eurjchem-2177	33	46	90.000(5	90.000(5	NOUN
eurjchem-2177	33	47	)	)	PUNCT
eurjchem-2177	33	48	β	β	X
eurjchem-2177	33	49	(	(	PUNCT
eurjchem-2177	33	50	°	°	NOUN
eurjchem-2177	33	51	)	)	PUNCT
eurjchem-2177	33	52	112.351(5	112.351(5	NUM
eurjchem-2177	33	53	)	)	PUNCT
eurjchem-2177	33	54	γ	γ	PROPN
eurjchem-2177	33	55	(	(	PUNCT
eurjchem-2177	33	56	°	°	PROPN
eurjchem-2177	33	57	)	)	PUNCT
eurjchem-2177	33	58	90.000(5	90.000(5	ADJ
eurjchem-2177	33	59	)	)	PUNCT
eurjchem-2177	33	60	volume	volume	NOUN
eurjchem-2177	33	61	(	(	PUNCT
eurjchem-2177	33	62	å3	å3	PROPN
eurjchem-2177	33	63	)	)	PUNCT
eurjchem-2177	33	64	1186.2(12	1186.2(12	NUM
eurjchem-2177	33	65	)	)	PUNCT
eurjchem-2177	33	66	z	z	NOUN
eurjchem-2177	33	67	4	4	NUM
eurjchem-2177	33	68	ρcalc	ρcalc	NOUN
eurjchem-2177	33	69	(	(	PUNCT
eurjchem-2177	33	70	g	g	NOUN
eurjchem-2177	33	71	/	/	SYM
eurjchem-2177	33	72	cm3	cm3	NOUN
eurjchem-2177	33	73	)	)	PUNCT
eurjchem-2177	33	74	1.346	1.346	NUM
eurjchem-2177	33	75	μ	μ	NOUN
eurjchem-2177	33	76	(	(	PUNCT
eurjchem-2177	33	77	mm-1	mm-1	NOUN
eurjchem-2177	33	78	)	)	PUNCT
eurjchem-2177	33	79	0.261	0.261	NUM
eurjchem-2177	33	80	f(000	f(000	NOUN
eurjchem-2177	33	81	)	)	PUNCT
eurjchem-2177	33	82	512.0	512.0	NUM
eurjchem-2177	33	83	crystal	crystal	NOUN
eurjchem-2177	33	84	size	size	NOUN
eurjchem-2177	33	85	(	(	PUNCT
eurjchem-2177	33	86	mm3	mm3	PROPN
eurjchem-2177	33	87	)	)	PUNCT
eurjchem-2177	33	88	0.3	0.3	NUM
eurjchem-2177	33	89	×	×	NOUN
eurjchem-2177	33	90	0.2	0.2	NUM
eurjchem-2177	33	91	×	×	NOUN
eurjchem-2177	33	92	0.2	0.2	NUM
eurjchem-2177	33	93	radiation	radiation	NOUN
eurjchem-2177	33	94	mokα	mokα	NOUN
eurjchem-2177	33	95	(	(	PUNCT
eurjchem-2177	33	96	λ	λ	X
eurjchem-2177	33	97	=	=	SYM
eurjchem-2177	33	98	0.71073	0.71073	NUM
eurjchem-2177	33	99	)	)	PUNCT
eurjchem-2177	33	100	2θ	2θ	NUM
eurjchem-2177	33	101	range	range	VERB
eurjchem-2177	33	102	for	for	ADP
eurjchem-2177	33	103	data	data	NOUN
eurjchem-2177	33	104	collection	collection	NOUN
eurjchem-2177	33	105	(	(	PUNCT
eurjchem-2177	33	106	°	°	PROPN
eurjchem-2177	33	107	)	)	PUNCT
eurjchem-2177	33	108	3.34	3.34	NUM
eurjchem-2177	33	109	to	to	ADP
eurjchem-2177	33	110	49.96	49.96	NUM
eurjchem-2177	33	111	index	index	NOUN
eurjchem-2177	33	112	ranges	range	VERB
eurjchem-2177	33	113	-15	-15	PUNCT
eurjchem-2177	33	114	≤	≤	NUM
eurjchem-2177	33	115	h	h	NOUN
eurjchem-2177	33	116	≤	≤	NOUN
eurjchem-2177	33	117	16	16	NUM
eurjchem-2177	33	118	,	,	PUNCT
eurjchem-2177	34	1	-6	-6	PROPN
eurjchem-2177	34	2	≤	≤	NUM
eurjchem-2177	35	1	k	k	X
eurjchem-2177	35	2	≤	≤	NUM
eurjchem-2177	35	3	6	6	NUM
eurjchem-2177	35	4	,	,	PUNCT
eurjchem-2177	35	5	-19	-19	PROPN
eurjchem-2177	35	6	≤	≤	NUM
eurjchem-2177	35	7	l	l	NOUN
eurjchem-2177	35	8	≤	≤	NUM
eurjchem-2177	35	9	19	19	NUM
eurjchem-2177	35	10	reflections	reflection	NOUN
eurjchem-2177	35	11	collected	collect	VERB
eurjchem-2177	35	12	10904	10904	NUM
eurjchem-2177	35	13	independent	independent	ADJ
eurjchem-2177	35	14	reflections	reflection	NOUN
eurjchem-2177	35	15	2081	2081	NUM
eurjchem-2177	36	1	[	[	X
eurjchem-2177	36	2	rint	rint	X
eurjchem-2177	36	3	=	=	SYM
eurjchem-2177	36	4	0.0285	0.0285	NUM
eurjchem-2177	36	5	,	,	PUNCT
eurjchem-2177	36	6	rsigma	rsigma	ADJ
eurjchem-2177	36	7	=	=	PUNCT
eurjchem-2177	36	8	0.0212	0.0212	NUM
eurjchem-2177	36	9	]	]	PUNCT
eurjchem-2177	36	10	data	datum	NOUN
eurjchem-2177	36	11	/	/	SYM
eurjchem-2177	36	12	restraints	restraint	NOUN
eurjchem-2177	36	13	/	/	SYM
eurjchem-2177	36	14	parameters	parameter	NOUN
eurjchem-2177	36	15	2081/0/154	2081/0/154	NUM
eurjchem-2177	36	16	goodness	goodness	NOUN
eurjchem-2177	36	17	-	-	PUNCT
eurjchem-2177	36	18	of	of	ADP
eurjchem-2177	36	19	-	-	PUNCT
eurjchem-2177	36	20	fit	fit	NOUN
eurjchem-2177	36	21	on	on	ADP
eurjchem-2177	36	22	f2	f2	PROPN
eurjchem-2177	36	23	1.143	1.143	NUM
eurjchem-2177	36	24	final	final	ADJ
eurjchem-2177	36	25	r	r	NOUN
eurjchem-2177	36	26	indexes	index	NOUN
eurjchem-2177	36	27	[	[	X
eurjchem-2177	36	28	i≥2σ	i≥2σ	X
eurjchem-2177	36	29	(	(	PUNCT
eurjchem-2177	36	30	i	i	NOUN
eurjchem-2177	36	31	)	)	PUNCT
eurjchem-2177	36	32	]	]	PUNCT
eurjchem-2177	36	33	r1	r1	PROPN
eurjchem-2177	36	34	=	=	SYM
eurjchem-2177	36	35	0.0347	0.0347	PROPN
eurjchem-2177	36	36	,	,	PUNCT
eurjchem-2177	36	37	wr2	wr2	PROPN
eurjchem-2177	36	38	=	=	NOUN
eurjchem-2177	36	39	0.1024	0.1024	NUM
eurjchem-2177	36	40	final	final	ADJ
eurjchem-2177	36	41	r	r	NOUN
eurjchem-2177	36	42	indexes	index	NOUN
eurjchem-2177	36	43	[	[	X
eurjchem-2177	36	44	all	all	DET
eurjchem-2177	36	45	data	datum	NOUN
eurjchem-2177	36	46	]	]	PUNCT
eurjchem-2177	36	47	r1	r1	NOUN
eurjchem-2177	36	48	=	=	PUNCT
eurjchem-2177	36	49	0.0443	0.0443	NUM
eurjchem-2177	36	50	,	,	PUNCT
eurjchem-2177	36	51	wr2	wr2	PROPN
eurjchem-2177	36	52	=	=	PROPN
eurjchem-2177	37	1	0.1235	0.1235	NUM
eurjchem-2177	37	2	largest	large	ADJ
eurjchem-2177	37	3	diff	diff	NOUN
eurjchem-2177	37	4	.	.	PUNCT
eurjchem-2177	37	5	peak	peak	PROPN
eurjchem-2177	37	6	/	/	SYM
eurjchem-2177	37	7	hole	hole	NOUN
eurjchem-2177	37	8	(	(	PUNCT
eurjchem-2177	37	9	e.å-3	e.å-3	PROPN
eurjchem-2177	37	10	)	)	PUNCT
eurjchem-2177	37	11	0.31/-0.19	0.31/-0.19	NOUN
eurjchem-2177	37	12	ccdc	ccdc	PROPN
eurjchem-2177	37	13	number	number	NOUN
eurjchem-2177	37	14	2100572	2100572	NUM
eurjchem-2177	37	15	table	table	NOUN
eurjchem-2177	37	16	2	2	NUM
eurjchem-2177	37	17	.	.	PUNCT
eurjchem-2177	37	18	hydrogen	hydrogen	NOUN
eurjchem-2177	37	19	bond	bond	NOUN
eurjchem-2177	37	20	for	for	ADP
eurjchem-2177	37	21	psma	psma	NOUN
eurjchem-2177	37	22	.	.	PUNCT
eurjchem-2177	38	1	d	d	X
eurjchem-2177	38	2	-	-	PUNCT
eurjchem-2177	38	3	h···a	h···a	ADJ
eurjchem-2177	38	4	d	d	NOUN
eurjchem-2177	38	5	-	-	PUNCT
eurjchem-2177	38	6	h	h	NOUN
eurjchem-2177	38	7	(	(	PUNCT
eurjchem-2177	38	8	å	å	NOUN
eurjchem-2177	38	9	)	)	PUNCT
eurjchem-2177	38	10	h···a	h···a	PROPN
eurjchem-2177	38	11	(	(	PUNCT
eurjchem-2177	38	12	å	å	NOUN
eurjchem-2177	38	13	)	)	PUNCT
eurjchem-2177	38	14	d···a	d···a	NOUN
eurjchem-2177	38	15	(	(	PUNCT
eurjchem-2177	38	16	å	å	NOUN
eurjchem-2177	38	17	)	)	PUNCT
eurjchem-2177	38	18	∠	∠	NOUN
eurjchem-2177	38	19	d	d	PROPN
eurjchem-2177	38	20	-	-	PUNCT
eurjchem-2177	38	21	h···a	h···a	PROPN
eurjchem-2177	38	22	(	(	PUNCT
eurjchem-2177	38	23	˚	˚	PROPN
eurjchem-2177	38	24	)	)	PUNCT
eurjchem-2177	38	25	symmetry	symmetry	NOUN
eurjchem-2177	38	26	code	code	NOUN
eurjchem-2177	38	27	n1	n1	PROPN
eurjchem-2177	38	28	-	-	PUNCT
eurjchem-2177	38	29	h1a···o1	h1a···o1	PROPN
eurjchem-2177	38	30	0.84(3	0.84(3	NOUN
eurjchem-2177	38	31	)	)	PUNCT
eurjchem-2177	38	32	2.48(3	2.48(3	NUM
eurjchem-2177	38	33	)	)	PUNCT
eurjchem-2177	38	34	3.243(4	3.243(4	NUM
eurjchem-2177	38	35	)	)	PUNCT
eurjchem-2177	38	36	151(3	151(3	NUM
eurjchem-2177	38	37	)	)	PUNCT
eurjchem-2177	38	38	3/2	3/2	NUM
eurjchem-2177	38	39	-	-	PUNCT
eurjchem-2177	38	40	x	x	NOUN
eurjchem-2177	38	41	,	,	PUNCT
eurjchem-2177	38	42	-1/2+y	-1/2+y	INTJ
eurjchem-2177	38	43	,	,	PUNCT
eurjchem-2177	38	44	1/2	1/2	NUM
eurjchem-2177	38	45	-	-	PUNCT
eurjchem-2177	38	46	z	z	NOUN
eurjchem-2177	38	47	n1	n1	NOUN
eurjchem-2177	38	48	-	-	PUNCT
eurjchem-2177	38	49	h1b···o2	h1b···o2	NOUN
eurjchem-2177	38	50	0.86(4	0.86(4	PROPN
eurjchem-2177	38	51	)	)	PUNCT
eurjchem-2177	38	52	2.47(3	2.47(3	NUM
eurjchem-2177	38	53	)	)	PUNCT
eurjchem-2177	38	54	3.241(4	3.241(4	NUM
eurjchem-2177	38	55	)	)	PUNCT
eurjchem-2177	38	56	151(3	151(3	NUM
eurjchem-2177	38	57	)	)	PUNCT
eurjchem-2177	38	58	3/2	3/2	NUM
eurjchem-2177	38	59	-	-	PUNCT
eurjchem-2177	38	60	x	x	NOUN
eurjchem-2177	38	61	,	,	PUNCT
eurjchem-2177	38	62	1/2+y	1/2+y	NUM
eurjchem-2177	38	63	,	,	PUNCT
eurjchem-2177	38	64	1/2	1/2	NUM
eurjchem-2177	38	65	-	-	PUNCT
eurjchem-2177	38	66	z	z	NOUN
eurjchem-2177	38	67	h2n	h2n	PROPN
eurjchem-2177	38	68	s	s	PART
eurjchem-2177	38	69	o	o	NOUN
eurjchem-2177	38	70	o	o	NOUN
eurjchem-2177	38	71	n	n	CCONJ
eurjchem-2177	38	72	n	n	NOUN
eurjchem-2177	38	73	h	h	NOUN
eurjchem-2177	38	74	n	n	NOUN
eurjchem-2177	38	75	s	s	PART
eurjchem-2177	38	76	o	o	X
eurjchem-2177	38	77	on	on	ADP
eurjchem-2177	38	78	(	(	PUNCT
eurjchem-2177	38	79	a	a	NOUN
eurjchem-2177	38	80	)	)	PUNCT
eurjchem-2177	38	81	(	(	PUNCT
eurjchem-2177	38	82	b	b	X
eurjchem-2177	38	83	)	)	PUNCT
eurjchem-2177	38	84	figure	figure	NOUN
eurjchem-2177	38	85	1	1	NUM
eurjchem-2177	38	86	.	.	PUNCT
eurjchem-2177	38	87	structures	structure	NOUN
eurjchem-2177	38	88	of	of	ADP
eurjchem-2177	38	89	(	(	PUNCT
eurjchem-2177	38	90	a	a	PRON
eurjchem-2177	38	91	)	)	PUNCT
eurjchem-2177	38	92	psma	psma	NOUN
eurjchem-2177	38	93	and	and	CCONJ
eurjchem-2177	38	94	(	(	PUNCT
eurjchem-2177	38	95	b	b	NOUN
eurjchem-2177	38	96	)	)	PUNCT
eurjchem-2177	38	97	almotriptan	almotriptan	ADJ
eurjchem-2177	38	98	.	.	PUNCT
eurjchem-2177	39	1	2	2	X
eurjchem-2177	39	2	.	.	X
eurjchem-2177	39	3	experimental	experimental	ADJ
eurjchem-2177	39	4	2.1	2.1	NUM
eurjchem-2177	39	5	.	.	PUNCT
eurjchem-2177	40	1	crystal	crystal	NOUN
eurjchem-2177	40	2	preparation	preparation	NOUN
eurjchem-2177	40	3	the	the	DET
eurjchem-2177	40	4	crystal	crystal	NOUN
eurjchem-2177	40	5	was	be	AUX
eurjchem-2177	40	6	prepared	prepare	VERB
eurjchem-2177	40	7	by	by	ADP
eurjchem-2177	40	8	mixing	mix	VERB
eurjchem-2177	40	9	4-((pyrrolidin-1ylsulfonyl)methyl)aniline	4-((pyrrolidin-1ylsulfonyl)methyl)aniline	NUM
eurjchem-2177	40	10	compound	compound	NOUN
eurjchem-2177	40	11	(	(	PUNCT
eurjchem-2177	40	12	tci	tci	PROPN
eurjchem-2177	40	13	chemicals	chemicals	PROPN
eurjchem-2177	40	14	india	india	PROPN
eurjchem-2177	40	15	pvt	pvt	PROPN
eurjchem-2177	40	16	.	.	PROPN
eurjchem-2177	40	17	ltd	ltd	PROPN
eurjchem-2177	40	18	.	.	PROPN
eurjchem-2177	40	19	)	)	PUNCT
eurjchem-2177	40	20	with	with	ADP
eurjchem-2177	40	21	aqueous	aqueous	ADJ
eurjchem-2177	40	22	methanol	methanol	NOUN
eurjchem-2177	40	23	and	and	CCONJ
eurjchem-2177	40	24	heating	heat	VERB
eurjchem-2177	40	25	the	the	DET
eurjchem-2177	40	26	mixture	mixture	NOUN
eurjchem-2177	40	27	for	for	ADP
eurjchem-2177	40	28	a	a	DET
eurjchem-2177	40	29	few	few	ADJ
eurjchem-2177	40	30	minutes	minute	NOUN
eurjchem-2177	40	31	.	.	PUNCT
eurjchem-2177	41	1	the	the	DET
eurjchem-2177	41	2	solution	solution	NOUN
eurjchem-2177	41	3	was	be	AUX
eurjchem-2177	41	4	warmed	warm	VERB
eurjchem-2177	41	5	at	at	ADP
eurjchem-2177	41	6	50	50	NUM
eurjchem-2177	41	7	°	°	NOUN
eurjchem-2177	41	8	c	c	NOUN
eurjchem-2177	41	9	for	for	ADP
eurjchem-2177	41	10	half	half	DET
eurjchem-2177	41	11	an	an	DET
eurjchem-2177	41	12	hour	hour	NOUN
eurjchem-2177	41	13	in	in	ADP
eurjchem-2177	41	14	a	a	DET
eurjchem-2177	41	15	water	water	NOUN
eurjchem-2177	41	16	bath	bath	NOUN
eurjchem-2177	41	17	.	.	PUNCT
eurjchem-2177	42	1	the	the	DET
eurjchem-2177	42	2	resultant	resultant	NOUN
eurjchem-2177	42	3	solution	solution	NOUN
eurjchem-2177	42	4	was	be	AUX
eurjchem-2177	42	5	allowed	allow	VERB
eurjchem-2177	42	6	to	to	PART
eurjchem-2177	42	7	cool	cool	VERB
eurjchem-2177	42	8	by	by	ADP
eurjchem-2177	42	9	slow	slow	ADJ
eurjchem-2177	42	10	evaporation	evaporation	NOUN
eurjchem-2177	42	11	.	.	PUNCT
eurjchem-2177	43	1	after	after	ADP
eurjchem-2177	43	2	two	two	NUM
eurjchem-2177	43	3	days	day	NOUN
eurjchem-2177	43	4	,	,	PUNCT
eurjchem-2177	43	5	blocks	block	NOUN
eurjchem-2177	43	6	of	of	ADP
eurjchem-2177	43	7	yellow	yellow	ADJ
eurjchem-2177	43	8	colored	colored	ADJ
eurjchem-2177	43	9	crystals	crystal	NOUN
eurjchem-2177	43	10	were	be	AUX
eurjchem-2177	43	11	separated	separate	VERB
eurjchem-2177	43	12	[	[	PUNCT
eurjchem-2177	43	13	23	23	NUM
eurjchem-2177	43	14	]	]	PUNCT
eurjchem-2177	43	15	.	.	PUNCT
eurjchem-2177	44	1	2.2	2.2	NUM
eurjchem-2177	44	2	.	.	PUNCT
eurjchem-2177	45	1	single	single	ADJ
eurjchem-2177	45	2	-	-	PUNCT
eurjchem-2177	45	3	crystal	crystal	NOUN
eurjchem-2177	45	4	x	x	ADJ
eurjchem-2177	45	5	-	-	NOUN
eurjchem-2177	45	6	ray	ray	NOUN
eurjchem-2177	45	7	structure	structure	NOUN
eurjchem-2177	45	8	determination	determination	NOUN
eurjchem-2177	45	9	a	a	DET
eurjchem-2177	45	10	bruker	bruker	PROPN
eurjchem-2177	45	11	kappa	kappa	PROPN
eurjchem-2177	45	12	apex	apex	PROPN
eurjchem-2177	45	13	-	-	PUNCT
eurjchem-2177	45	14	ii	ii	PROPN
eurjchem-2177	45	15	ccd	ccd	PROPN
eurjchem-2177	45	16	diffractometer	diffractometer	NOUN
eurjchem-2177	45	17	having	have	VERB
eurjchem-2177	45	18	monochromatic	monochromatic	ADJ
eurjchem-2177	45	19	mokα	mokα	ADJ
eurjchem-2177	45	20	radiation	radiation	NOUN
eurjchem-2177	45	21	(	(	PUNCT
eurjchem-2177	45	22	λ	λ	X
eurjchem-2177	45	23	=	=	SYM
eurjchem-2177	45	24	0.71073	0.71073	NUM
eurjchem-2177	45	25	å	å	NOUN
eurjchem-2177	45	26	)	)	PUNCT
eurjchem-2177	45	27	was	be	AUX
eurjchem-2177	45	28	used	use	VERB
eurjchem-2177	45	29	for	for	ADP
eurjchem-2177	45	30	single	single	ADJ
eurjchem-2177	45	31	crystal	crystal	NOUN
eurjchem-2177	45	32	x	x	PROPN
eurjchem-2177	45	33	-	-	NOUN
eurjchem-2177	45	34	ray	ray	NOUN
eurjchem-2177	45	35	diffraction	diffraction	NOUN
eurjchem-2177	45	36	data	data	PROPN
eurjchem-2177	45	37	collection	collection	NOUN
eurjchem-2177	45	38	.	.	PUNCT
eurjchem-2177	46	1	bruker	bruker	PROPN
eurjchem-2177	46	2	saint	saint	PROPN
eurjchem-2177	47	1	[	[	X
eurjchem-2177	47	2	24	24	NUM
eurjchem-2177	47	3	]	]	PUNCT
eurjchem-2177	47	4	was	be	AUX
eurjchem-2177	47	5	then	then	ADV
eurjchem-2177	47	6	involved	involve	VERB
eurjchem-2177	47	7	in	in	ADP
eurjchem-2177	47	8	the	the	DET
eurjchem-2177	47	9	integration	integration	NOUN
eurjchem-2177	47	10	followed	follow	VERB
eurjchem-2177	47	11	by	by	ADP
eurjchem-2177	47	12	and	and	CCONJ
eurjchem-2177	47	13	corrections	correction	NOUN
eurjchem-2177	47	14	for	for	ADP
eurjchem-2177	47	15	lorentz	lorentz	NOUN
eurjchem-2177	47	16	and	and	CCONJ
eurjchem-2177	47	17	polarization	polarization	NOUN
eurjchem-2177	47	18	effects	effect	NOUN
eurjchem-2177	47	19	.	.	PUNCT
eurjchem-2177	48	1	for	for	ADP
eurjchem-2177	48	2	absorption	absorption	NOUN
eurjchem-2177	48	3	correction	correction	NOUN
eurjchem-2177	48	4	,	,	PUNCT
eurjchem-2177	48	5	the	the	DET
eurjchem-2177	48	6	multi	multi	ADJ
eurjchem-2177	48	7	-	-	ADJ
eurjchem-2177	48	8	scan	scan	ADJ
eurjchem-2177	48	9	method	method	NOUN
eurjchem-2177	48	10	using	use	VERB
eurjchem-2177	48	11	sadabs	sadab	NOUN
eurjchem-2177	49	1	[	[	X
eurjchem-2177	49	2	24	24	NUM
eurjchem-2177	49	3	]	]	PUNCT
eurjchem-2177	49	4	was	be	AUX
eurjchem-2177	49	5	utilized	utilize	VERB
eurjchem-2177	49	6	.	.	PUNCT
eurjchem-2177	49	7	shelxs97	shelxs97	PROPN
eurjchem-2177	50	1	[	[	X
eurjchem-2177	50	2	25	25	NUM
eurjchem-2177	50	3	]	]	PUNCT
eurjchem-2177	50	4	software	software	NOUN
eurjchem-2177	50	5	had	have	AUX
eurjchem-2177	50	6	been	be	AUX
eurjchem-2177	50	7	used	use	VERB
eurjchem-2177	50	8	to	to	PART
eurjchem-2177	50	9	get	get	VERB
eurjchem-2177	50	10	the	the	DET
eurjchem-2177	50	11	structure	structure	NOUN
eurjchem-2177	50	12	solution	solution	NOUN
eurjchem-2177	50	13	by	by	ADP
eurjchem-2177	50	14	direct	direct	ADJ
eurjchem-2177	50	15	method	method	NOUN
eurjchem-2177	50	16	and	and	CCONJ
eurjchem-2177	50	17	the	the	DET
eurjchem-2177	50	18	refinement	refinement	NOUN
eurjchem-2177	50	19	had	have	AUX
eurjchem-2177	50	20	been	be	AUX
eurjchem-2177	50	21	carried	carry	VERB
eurjchem-2177	50	22	out	out	ADP
eurjchem-2177	50	23	by	by	ADP
eurjchem-2177	50	24	full	full	ADJ
eurjchem-2177	50	25	matrix	matrix	NOUN
eurjchem-2177	50	26	least	least	ADJ
eurjchem-2177	50	27	squares	square	NOUN
eurjchem-2177	50	28	on	on	ADP
eurjchem-2177	50	29	f2	f2	PROPN
eurjchem-2177	50	30	using	use	VERB
eurjchem-2177	50	31	shelxl-2014/7	shelxl-2014/7	PROPN
eurjchem-2177	51	1	[	[	X
eurjchem-2177	51	2	26	26	NUM
eurjchem-2177	51	3	]	]	PUNCT
eurjchem-2177	51	4	.	.	PUNCT
eurjchem-2177	52	1	after	after	SCONJ
eurjchem-2177	52	2	the	the	DET
eurjchem-2177	52	3	non	non	ADJ
eurjchem-2177	52	4	-	-	ADJ
eurjchem-2177	52	5	h	h	ADJ
eurjchem-2177	52	6	atoms	atom	NOUN
eurjchem-2177	52	7	were	be	AUX
eurjchem-2177	52	8	refined	refine	VERB
eurjchem-2177	52	9	with	with	ADP
eurjchem-2177	52	10	anisotropic	anisotropic	NOUN
eurjchem-2177	52	11	factors	factor	NOUN
eurjchem-2177	52	12	,	,	PUNCT
eurjchem-2177	52	13	the	the	DET
eurjchem-2177	52	14	hydrogen	hydrogen	NOUN
eurjchem-2177	52	15	atoms	atom	NOUN
eurjchem-2177	52	16	were	be	AUX
eurjchem-2177	52	17	positioned	position	VERB
eurjchem-2177	52	18	geometrically	geometrically	ADV
eurjchem-2177	52	19	and	and	CCONJ
eurjchem-2177	52	20	refined	refine	VERB
eurjchem-2177	52	21	isotropically	isotropically	ADV
eurjchem-2177	52	22	as	as	ADP
eurjchem-2177	52	23	riding	ride	VERB
eurjchem-2177	52	24	on	on	ADP
eurjchem-2177	52	25	their	their	PRON
eurjchem-2177	52	26	carrier	carrier	NOUN
eurjchem-2177	52	27	atoms	atom	NOUN
eurjchem-2177	52	28	.	.	PUNCT
eurjchem-2177	53	1	relevant	relevant	ADJ
eurjchem-2177	53	2	crystal	crystal	PROPN
eurjchem-2177	53	3	data	datum	NOUN
eurjchem-2177	53	4	and	and	CCONJ
eurjchem-2177	53	5	details	detail	NOUN
eurjchem-2177	53	6	of	of	ADP
eurjchem-2177	53	7	the	the	DET
eurjchem-2177	53	8	hydrogen	hydrogen	NOUN
eurjchem-2177	53	9	bond	bond	NOUN
eurjchem-2177	53	10	framework	framework	NOUN
eurjchem-2177	53	11	have	have	AUX
eurjchem-2177	53	12	been	be	AUX
eurjchem-2177	53	13	collected	collect	VERB
eurjchem-2177	53	14	in	in	ADP
eurjchem-2177	53	15	tables	table	NOUN
eurjchem-2177	53	16	1	1	NUM
eurjchem-2177	53	17	and	and	CCONJ
eurjchem-2177	53	18	2	2	NUM
eurjchem-2177	53	19	.	.	NOUN
eurjchem-2177	53	20	2.3	2.3	NUM
eurjchem-2177	53	21	.	.	PUNCT
eurjchem-2177	54	1	dft	dft	PROPN
eurjchem-2177	54	2	studies	study	NOUN
eurjchem-2177	54	3	for	for	ADP
eurjchem-2177	54	4	all	all	DET
eurjchem-2177	54	5	computations	computation	NOUN
eurjchem-2177	54	6	,	,	PUNCT
eurjchem-2177	54	7	the	the	DET
eurjchem-2177	54	8	b3lyp	b3lyp	PROPN
eurjchem-2177	54	9	of	of	ADP
eurjchem-2177	54	10	density	density	NOUN
eurjchem-2177	54	11	functional	functional	ADJ
eurjchem-2177	54	12	theory	theory	NOUN
eurjchem-2177	54	13	was	be	AUX
eurjchem-2177	54	14	followed	follow	VERB
eurjchem-2177	54	15	[	[	X
eurjchem-2177	54	16	27	27	NUM
eurjchem-2177	54	17	]	]	PUNCT
eurjchem-2177	54	18	through	through	ADP
eurjchem-2177	54	19	the	the	DET
eurjchem-2177	54	20	gaussian	gaussian	NOUN
eurjchem-2177	54	21	03w/09w	03w/09w	NUM
eurjchem-2177	55	1	[	[	X
eurjchem-2177	55	2	28,29	28,29	X
eurjchem-2177	55	3	]	]	X
eurjchem-2177	55	4	suite	suite	NOUN
eurjchem-2177	55	5	of	of	ADP
eurjchem-2177	55	6	programs	program	NOUN
eurjchem-2177	55	7	.	.	PUNCT
eurjchem-2177	56	1	this	this	DET
eurjchem-2177	56	2	level	level	NOUN
eurjchem-2177	56	3	of	of	ADP
eurjchem-2177	56	4	computation	computation	NOUN
eurjchem-2177	56	5	,	,	PUNCT
eurjchem-2177	56	6	despite	despite	SCONJ
eurjchem-2177	56	7	its	its	PRON
eurjchem-2177	56	8	inability	inability	NOUN
eurjchem-2177	56	9	to	to	PART
eurjchem-2177	56	10	reproduce	reproduce	VERB
eurjchem-2177	56	11	dispersive	dispersive	ADJ
eurjchem-2177	56	12	forces	force	NOUN
eurjchem-2177	56	13	accurately	accurately	ADV
eurjchem-2177	56	14	[	[	X
eurjchem-2177	56	15	30	30	NUM
eurjchem-2177	56	16	]	]	PUNCT
eurjchem-2177	56	17	was	be	AUX
eurjchem-2177	56	18	chosen	choose	VERB
eurjchem-2177	56	19	because	because	SCONJ
eurjchem-2177	56	20	dft	dft	PROPN
eurjchem-2177	56	21	is	be	AUX
eurjchem-2177	56	22	computationally	computationally	ADV
eurjchem-2177	56	23	non	non	ADJ
eurjchem-2177	56	24	-	-	ADJ
eurjchem-2177	56	25	expensive	expensive	ADJ
eurjchem-2177	56	26	and	and	CCONJ
eurjchem-2177	56	27	gives	give	VERB
eurjchem-2177	56	28	reliable	reliable	ADJ
eurjchem-2177	56	29	results	result	NOUN
eurjchem-2177	56	30	.	.	PUNCT
eurjchem-2177	57	1	to	to	PART
eurjchem-2177	57	2	account	account	VERB
eurjchem-2177	57	3	suitably	suitably	ADV
eurjchem-2177	57	4	for	for	ADP
eurjchem-2177	57	5	orbital	orbital	ADJ
eurjchem-2177	57	6	contraction	contraction	NOUN
eurjchem-2177	57	7	in	in	ADP
eurjchem-2177	57	8	the	the	DET
eurjchem-2177	57	9	molecular	molecular	ADJ
eurjchem-2177	57	10	environment	environment	NOUN
eurjchem-2177	57	11	,	,	PUNCT
eurjchem-2177	57	12	diffuse	diffuse	VERB
eurjchem-2177	57	13	nature	nature	NOUN
eurjchem-2177	57	14	of	of	ADP
eurjchem-2177	57	15	non	non	ADJ
eurjchem-2177	57	16	-	-	ADJ
eurjchem-2177	57	17	bonding	bonding	ADJ
eurjchem-2177	57	18	electrons	electron	NOUN
eurjchem-2177	57	19	,	,	PUNCT
eurjchem-2177	57	20	and	and	CCONJ
eurjchem-2177	57	21	shifting	shift	VERB
eurjchem-2177	57	22	the	the	DET
eurjchem-2177	57	23	centre	centre	NOUN
eurjchem-2177	57	24	of	of	ADP
eurjchem-2177	57	25	orbitals	orbital	NOUN
eurjchem-2177	57	26	in	in	ADP
eurjchem-2177	57	27	small	small	ADJ
eurjchem-2177	57	28	rings	ring	NOUN
eurjchem-2177	57	29	,	,	PUNCT
eurjchem-2177	57	30	the	the	DET
eurjchem-2177	57	31	well	well	ADV
eurjchem-2177	57	32	-	-	PUNCT
eurjchem-2177	57	33	known	know	VERB
eurjchem-2177	57	34	6	6	NUM
eurjchem-2177	57	35	-	-	PUNCT
eurjchem-2177	57	36	311++g(d	311++g(d	NUM
eurjchem-2177	57	37	,	,	PUNCT
eurjchem-2177	57	38	p	p	NOUN
eurjchem-2177	57	39	)	)	PUNCT
eurjchem-2177	57	40	basis	basis	NOUN
eurjchem-2177	57	41	set	set	NOUN
eurjchem-2177	57	42	,	,	PUNCT
eurjchem-2177	57	43	which	which	PRON
eurjchem-2177	57	44	is	be	AUX
eurjchem-2177	57	45	more	more	ADV
eurjchem-2177	57	46	adaptable	adaptable	ADJ
eurjchem-2177	57	47	in	in	ADP
eurjchem-2177	57	48	the	the	DET
eurjchem-2177	57	49	valence	valence	NOUN
eurjchem-2177	57	50	region	region	NOUN
eurjchem-2177	57	51	if	if	SCONJ
eurjchem-2177	57	52	hydrogen	hydrogen	NOUN
eurjchem-2177	57	53	bond	bond	NOUN
eurjchem-2177	57	54	interaction	interaction	NOUN
eurjchem-2177	57	55	is	be	AUX
eurjchem-2177	57	56	present	present	ADJ
eurjchem-2177	57	57	,	,	PUNCT
eurjchem-2177	57	58	had	have	AUX
eurjchem-2177	57	59	been	be	AUX
eurjchem-2177	57	60	chosen	choose	VERB
eurjchem-2177	57	61	.	.	PUNCT
eurjchem-2177	58	1	the	the	DET
eurjchem-2177	58	2	initial	initial	ADJ
eurjchem-2177	58	3	geometrical	geometrical	ADJ
eurjchem-2177	58	4	structure	structure	NOUN
eurjchem-2177	58	5	constructed	construct	VERB
eurjchem-2177	58	6	from	from	ADP
eurjchem-2177	58	7	the	the	DET
eurjchem-2177	58	8	xrd	xrd	NOUN
eurjchem-2177	58	9	coordinates	coordinate	NOUN
eurjchem-2177	58	10	was	be	AUX
eurjchem-2177	58	11	optimized	optimize	VERB
eurjchem-2177	58	12	by	by	ADP
eurjchem-2177	58	13	invoking	invoke	VERB
eurjchem-2177	58	14	gradient	gradient	NOUN
eurjchem-2177	58	15	geometry	geometry	NOUN
eurjchem-2177	58	16	optimization	optimization	NOUN
eurjchem-2177	58	17	with	with	ADP
eurjchem-2177	58	18	complete	complete	ADJ
eurjchem-2177	58	19	relaxation	relaxation	NOUN
eurjchem-2177	58	20	.	.	PUNCT
eurjchem-2177	59	1	the	the	DET
eurjchem-2177	59	2	optimized	optimize	VERB
eurjchem-2177	59	3	geometry	geometry	NOUN
eurjchem-2177	59	4	at	at	ADP
eurjchem-2177	59	5	the	the	DET
eurjchem-2177	59	6	stationary	stationary	ADJ
eurjchem-2177	59	7	point	point	NOUN
eurjchem-2177	59	8	was	be	AUX
eurjchem-2177	59	9	characterized	characterize	VERB
eurjchem-2177	59	10	by	by	ADP
eurjchem-2177	59	11	inspecting	inspect	VERB
eurjchem-2177	59	12	the	the	DET
eurjchem-2177	59	13	absence	absence	NOUN
eurjchem-2177	59	14	of	of	ADP
eurjchem-2177	59	15	imaginary	imaginary	ADJ
eurjchem-2177	59	16	frequencies	frequency	NOUN
eurjchem-2177	59	17	.	.	PUNCT
eurjchem-2177	60	1	in	in	ADP
eurjchem-2177	60	2	the	the	DET
eurjchem-2177	60	3	gas	gas	NOUN
eurjchem-2177	60	4	phase	phase	NOUN
eurjchem-2177	60	5	as	as	ADV
eurjchem-2177	60	6	well	well	ADV
eurjchem-2177	60	7	as	as	ADP
eurjchem-2177	60	8	in	in	ADP
eurjchem-2177	60	9	the	the	DET
eurjchem-2177	60	10	appropriate	appropriate	ADJ
eurjchem-2177	60	11	solvent	solvent	NOUN
eurjchem-2177	60	12	(	(	PUNCT
eurjchem-2177	60	13	pcm	pcm	NOUN
eurjchem-2177	60	14	model	model	NOUN
eurjchem-2177	60	15	)	)	PUNCT
eurjchem-2177	60	16	,	,	PUNCT
eurjchem-2177	60	17	vertical	vertical	ADJ
eurjchem-2177	60	18	electronic	electronic	ADJ
eurjchem-2177	60	19	excitation	excitation	NOUN
eurjchem-2177	60	20	calculations	calculation	NOUN
eurjchem-2177	60	21	have	have	AUX
eurjchem-2177	60	22	been	be	AUX
eurjchem-2177	60	23	done	do	VERB
eurjchem-2177	60	24	with	with	ADP
eurjchem-2177	60	25	time	time	NOUN
eurjchem-2177	60	26	-	-	PUNCT
eurjchem-2177	60	27	dependent	dependent	ADJ
eurjchem-2177	60	28	dft	dft	NOUN
eurjchem-2177	60	29	.	.	PROPN
eurjchem-2177	60	30	2.4	2.4	NUM
eurjchem-2177	60	31	.	.	PUNCT
eurjchem-2177	61	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	61	2	surface	surface	NOUN
eurjchem-2177	61	3	analysis	analysis	NOUN
eurjchem-2177	61	4	2.4.1	2.4.1	NUM
eurjchem-2177	61	5	.	.	PUNCT
eurjchem-2177	62	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	62	2	surface	surface	PROPN
eurjchem-2177	62	3	hirshfeld	hirshfeld	PROPN
eurjchem-2177	62	4	’s	’s	PART
eurjchem-2177	62	5	quantitative	quantitative	ADJ
eurjchem-2177	62	6	molecular	molecular	ADJ
eurjchem-2177	62	7	charge	charge	NOUN
eurjchem-2177	62	8	distribution	distribution	NOUN
eurjchem-2177	62	9	in	in	ADP
eurjchem-2177	62	10	terms	term	NOUN
eurjchem-2177	62	11	of	of	ADP
eurjchem-2177	62	12	atomic	atomic	ADJ
eurjchem-2177	62	13	fragments	fragment	NOUN
eurjchem-2177	62	14	[	[	X
eurjchem-2177	62	15	31,32	31,32	NUM
eurjchem-2177	62	16	]	]	PUNCT
eurjchem-2177	62	17	led	lead	VERB
eurjchem-2177	62	18	to	to	PART
eurjchem-2177	62	19	propose	propose	VERB
eurjchem-2177	62	20	a	a	DET
eurjchem-2177	62	21	new	new	ADJ
eurjchem-2177	62	22	scheme	scheme	NOUN
eurjchem-2177	62	23	for	for	ADP
eurjchem-2177	62	24	partitioning	partitioning	NOUN
eurjchem-2177	62	25	of	of	ADP
eurjchem-2177	62	26	crystalline	crystalline	ADJ
eurjchem-2177	62	27	electron	electron	NOUN
eurjchem-2177	62	28	densities	density	NOUN
eurjchem-2177	62	29	.	.	PUNCT
eurjchem-2177	63	1	krishnan	krishnan	PROPN
eurjchem-2177	63	2	et	et	PROPN
eurjchem-2177	63	3	al	al	PROPN
eurjchem-2177	63	4	.	.	PUNCT
eurjchem-2177	63	5	/	/	SYM
eurjchem-2177	63	6	european	european	PROPN
eurjchem-2177	63	7	journal	journal	PROPN
eurjchem-2177	63	8	of	of	ADP
eurjchem-2177	63	9	chemistry	chemistry	NOUN
eurjchem-2177	63	10	12	12	NUM
eurjchem-2177	63	11	(	(	PUNCT
eurjchem-2177	63	12	4	4	NUM
eurjchem-2177	63	13	)	)	PUNCT
eurjchem-2177	63	14	(	(	PUNCT
eurjchem-2177	63	15	2021	2021	NUM
eurjchem-2177	63	16	)	)	PUNCT
eurjchem-2177	63	17	419	419	NUM
eurjchem-2177	63	18	-	-	SYM
eurjchem-2177	63	19	431	431	NUM
eurjchem-2177	63	20	421	421	NUM
eurjchem-2177	63	21	2021	2021	NUM
eurjchem-2177	63	22	–	–	PUNCT
eurjchem-2177	63	23	european	european	ADJ
eurjchem-2177	63	24	journal	journal	NOUN
eurjchem-2177	63	25	of	of	ADP
eurjchem-2177	63	26	chemistry	chemistry	NOUN
eurjchem-2177	63	27	–	–	PUNCT
eurjchem-2177	63	28	cc	cc	NOUN
eurjchem-2177	63	29	by	by	ADP
eurjchem-2177	63	30	nc	nc	PROPN
eurjchem-2177	63	31	–	–	PUNCT
eurjchem-2177	63	32	doi	doi	NOUN
eurjchem-2177	63	33	:	:	PUNCT
eurjchem-2177	63	34	10.5155	10.5155	NUM
eurjchem-2177	63	35	/	/	SYM
eurjchem-2177	63	36	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	63	37	-	-	PUNCT
eurjchem-2177	63	38	431.2177	431.2177	NUM
eurjchem-2177	63	39	figure	figure	NOUN
eurjchem-2177	63	40	2	2	NUM
eurjchem-2177	63	41	.	.	PUNCT
eurjchem-2177	64	1	ortep	ortep	ADJ
eurjchem-2177	64	2	view	view	NOUN
eurjchem-2177	64	3	of	of	ADP
eurjchem-2177	64	4	the	the	DET
eurjchem-2177	64	5	psma	psma	NOUN
eurjchem-2177	64	6	molecule	molecule	NOUN
eurjchem-2177	64	7	.	.	PUNCT
eurjchem-2177	65	1	(	(	PUNCT
eurjchem-2177	65	2	a	a	X
eurjchem-2177	65	3	)	)	PUNCT
eurjchem-2177	65	4	(	(	PUNCT
eurjchem-2177	65	5	b	b	X
eurjchem-2177	65	6	)	)	PUNCT
eurjchem-2177	65	7	figure	figure	NOUN
eurjchem-2177	65	8	3	3	NUM
eurjchem-2177	65	9	.	.	PUNCT
eurjchem-2177	66	1	(	(	PUNCT
eurjchem-2177	66	2	a	a	X
eurjchem-2177	66	3	)	)	PUNCT
eurjchem-2177	66	4	h	h	NOUN
eurjchem-2177	66	5	-	-	PUNCT
eurjchem-2177	66	6	bonded	bond	VERB
eurjchem-2177	66	7	ring	ring	NOUN
eurjchem-2177	66	8	motif	motif	NOUN
eurjchem-2177	66	9	present	present	ADJ
eurjchem-2177	66	10	in	in	ADP
eurjchem-2177	66	11	psma	psma	NOUN
eurjchem-2177	66	12	and	and	CCONJ
eurjchem-2177	66	13	(	(	PUNCT
eurjchem-2177	66	14	b	b	NOUN
eurjchem-2177	66	15	)	)	PUNCT
eurjchem-2177	66	16	packing	packing	NOUN
eurjchem-2177	66	17	diagram	diagram	NOUN
eurjchem-2177	66	18	of	of	ADP
eurjchem-2177	66	19	psma	psma	NOUN
eurjchem-2177	66	20	with	with	ADP
eurjchem-2177	66	21	its	its	PRON
eurjchem-2177	66	22	3	3	NUM
eurjchem-2177	66	23	-	-	PUNCT
eurjchem-2177	66	24	dimensional	dimensional	ADJ
eurjchem-2177	66	25	hydrogen	hydrogen	NOUN
eurjchem-2177	66	26	bond	bond	NOUN
eurjchem-2177	66	27	network	network	NOUN
eurjchem-2177	66	28	.	.	PUNCT
eurjchem-2177	67	1	as	as	ADP
eurjchem-2177	67	2	hirshfeld	hirshfeld	PROPN
eurjchem-2177	67	3	’s	’s	PART
eurjchem-2177	67	4	density	density	NOUN
eurjchem-2177	67	5	weight	weight	NOUN
eurjchem-2177	67	6	function	function	NOUN
eurjchem-2177	67	7	for	for	ADP
eurjchem-2177	67	8	an	an	DET
eurjchem-2177	67	9	atom	atom	NOUN
eurjchem-2177	67	10	in	in	ADP
eurjchem-2177	67	11	a	a	DET
eurjchem-2177	67	12	molecule	molecule	NOUN
eurjchem-2177	67	13	,	,	PUNCT
eurjchem-2177	67	14	the	the	DET
eurjchem-2177	67	15	weight	weight	NOUN
eurjchem-2177	67	16	function	function	NOUN
eurjchem-2177	67	17	wa(r	wa(r	NOUN
eurjchem-2177	67	18	)	)	PUNCT
eurjchem-2177	67	19	for	for	ADP
eurjchem-2177	67	20	a	a	DET
eurjchem-2177	67	21	molecule	molecule	NOUN
eurjchem-2177	67	22	(	(	PUNCT
eurjchem-2177	67	23	promolecule	promolecule	NOUN
eurjchem-2177	67	24	)	)	PUNCT
eurjchem-2177	67	25	in	in	ADP
eurjchem-2177	67	26	a	a	DET
eurjchem-2177	67	27	crystal	crystal	NOUN
eurjchem-2177	67	28	is	be	AUX
eurjchem-2177	67	29	defined	define	VERB
eurjchem-2177	67	30	as	as	ADP
eurjchem-2177	67	31	[	[	X
eurjchem-2177	67	32	33	33	NUM
eurjchem-2177	67	33	-	-	SYM
eurjchem-2177	67	34	35	35	NUM
eurjchem-2177	67	35	]	]	PUNCT
eurjchem-2177	67	36	.	.	PUNCT
eurjchem-2177	68	1	𝑤𝑤𝐴𝐴(𝑟𝑟	𝑤𝑤𝐴𝐴(𝑟𝑟	NOUN
eurjchem-2177	68	2	)	)	PUNCT
eurjchem-2177	68	3	=	=	SYM
eurjchem-2177	69	1	∑	∑	PUNCT
eurjchem-2177	69	2	𝜌𝜌𝑖𝑖	𝜌𝜌𝑖𝑖	NOUN
eurjchem-2177	69	3	𝑎𝑎𝑎𝑎(𝑟𝑟)𝑖𝑖𝑖𝑖	𝑎𝑎𝑎𝑎(𝑟𝑟)𝑖𝑖𝑖𝑖	ADP
eurjchem-2177	69	4	𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚	𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚𝑚	PROPN
eurjchem-2177	69	5	𝐴𝐴	𝐴𝐴	PROPN
eurjchem-2177	69	6	∑	∑	ADV
eurjchem-2177	69	7	𝜌𝜌𝑖𝑖	𝜌𝜌𝑖𝑖	NOUN
eurjchem-2177	69	8	𝑎𝑎𝑎𝑎(𝑟𝑟)𝑖𝑖𝑖𝑖	𝑎𝑎𝑎𝑎(𝑟𝑟)𝑖𝑖𝑖𝑖	ADP
eurjchem-2177	69	9	𝑚𝑚𝑐𝑐𝑐𝑐𝑐𝑐𝑎𝑎𝑎𝑎𝑚𝑚	𝑚𝑚𝑐𝑐𝑐𝑐𝑐𝑐𝑎𝑎𝑎𝑎𝑚𝑚	ADJ
eurjchem-2177	69	10	=	=	SYM
eurjchem-2177	69	11	𝜌𝜌𝑃𝑃𝑟𝑟𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃	𝜌𝜌𝑃𝑃𝑟𝑟𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃	NOUN
eurjchem-2177	69	12	(	(	PUNCT
eurjchem-2177	69	13	𝑟𝑟)/	𝑟𝑟)/	PROPN
eurjchem-2177	69	14	𝜌𝜌𝑃𝑃𝑟𝑟𝑃𝑃𝑃𝑃𝑟𝑟𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃	𝜌𝜌𝑃𝑃𝑟𝑟𝑃𝑃𝑃𝑃𝑟𝑟𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃𝑃	PRON
eurjchem-2177	69	15	(	(	PUNCT
eurjchem-2177	69	16	𝑟𝑟	𝑟𝑟	NOUN
eurjchem-2177	69	17	)	)	PUNCT
eurjchem-2177	69	18	(	(	PUNCT
eurjchem-2177	69	19	1	1	X
eurjchem-2177	69	20	)	)	PUNCT
eurjchem-2177	69	21	where	where	SCONJ
eurjchem-2177	69	22	ρpromolecule(r	ρpromolecule(r	NOUN
eurjchem-2177	69	23	)	)	PUNCT
eurjchem-2177	69	24	sums	sum	NOUN
eurjchem-2177	69	25	over	over	ADP
eurjchem-2177	69	26	the	the	DET
eurjchem-2177	69	27	electron	electron	NOUN
eurjchem-2177	69	28	density	density	NOUN
eurjchem-2177	69	29	of	of	ADP
eurjchem-2177	69	30	atoms	atom	NOUN
eurjchem-2177	69	31	in	in	ADP
eurjchem-2177	69	32	the	the	DET
eurjchem-2177	69	33	molecule	molecule	NOUN
eurjchem-2177	69	34	of	of	ADP
eurjchem-2177	69	35	interest	interest	NOUN
eurjchem-2177	69	36	and	and	CCONJ
eurjchem-2177	69	37	ρprocrystal(r	ρprocrystal(r	NOUN
eurjchem-2177	69	38	)	)	PUNCT
eurjchem-2177	69	39	is	be	AUX
eurjchem-2177	69	40	an	an	DET
eurjchem-2177	69	41	analogous	analogous	ADJ
eurjchem-2177	69	42	sum	sum	NOUN
eurjchem-2177	69	43	over	over	ADP
eurjchem-2177	69	44	the	the	DET
eurjchem-2177	69	45	crystal	crystal	NOUN
eurjchem-2177	69	46	(	(	PUNCT
eurjchem-2177	69	47	the	the	DET
eurjchem-2177	69	48	procrystal	procrystal	NOUN
eurjchem-2177	69	49	)	)	PUNCT
eurjchem-2177	69	50	.	.	PUNCT
eurjchem-2177	70	1	wa(r	wa(r	PROPN
eurjchem-2177	70	2	)	)	PUNCT
eurjchem-2177	71	1	is	be	AUX
eurjchem-2177	71	2	a	a	DET
eurjchem-2177	71	3	continuous	continuous	ADJ
eurjchem-2177	71	4	function	function	NOUN
eurjchem-2177	71	5	with	with	ADP
eurjchem-2177	71	6	0	0	NUM
eurjchem-2177	71	7	<	<	X
eurjchem-2177	71	8	wa(r	wa(r	NOUN
eurjchem-2177	71	9	)	)	PUNCT
eurjchem-2177	71	10	<	<	X
eurjchem-2177	72	1	1	1	X
eurjchem-2177	72	2	.	.	PUNCT
eurjchem-2177	72	3	an	an	DET
eurjchem-2177	72	4	isosurface	isosurface	NOUN
eurjchem-2177	72	5	of	of	ADP
eurjchem-2177	72	6	wa(r	wa(r	NOUN
eurjchem-2177	72	7	)	)	PUNCT
eurjchem-2177	72	8	,	,	PUNCT
eurjchem-2177	72	9	defined	define	VERB
eurjchem-2177	72	10	by	by	ADP
eurjchem-2177	72	11	wa(r	wa(r	NOUN
eurjchem-2177	72	12	)	)	PUNCT
eurjchem-2177	72	13	=	=	SYM
eurjchem-2177	72	14	0.5	0.5	NUM
eurjchem-2177	72	15	,	,	PUNCT
eurjchem-2177	72	16	hs	hs	PROPN
eurjchem-2177	72	17	envelops	envelop	VERB
eurjchem-2177	72	18	the	the	DET
eurjchem-2177	72	19	molecule	molecule	NOUN
eurjchem-2177	72	20	,	,	PUNCT
eurjchem-2177	72	21	and	and	CCONJ
eurjchem-2177	72	22	defines	define	VERB
eurjchem-2177	72	23	the	the	DET
eurjchem-2177	72	24	volume	volume	NOUN
eurjchem-2177	72	25	of	of	ADP
eurjchem-2177	72	26	space	space	NOUN
eurjchem-2177	72	27	where	where	SCONJ
eurjchem-2177	72	28	the	the	DET
eurjchem-2177	72	29	promolecule	promolecule	NOUN
eurjchem-2177	72	30	electron	electron	NOUN
eurjchem-2177	72	31	density	density	NOUN
eurjchem-2177	72	32	exceeds	exceed	VERB
eurjchem-2177	72	33	that	that	SCONJ
eurjchem-2177	72	34	from	from	ADP
eurjchem-2177	72	35	all	all	DET
eurjchem-2177	72	36	neighboring	neighbor	VERB
eurjchem-2177	72	37	molecules	molecule	NOUN
eurjchem-2177	72	38	.	.	PUNCT
eurjchem-2177	73	1	it	it	PRON
eurjchem-2177	73	2	guarantees	guarantee	VERB
eurjchem-2177	73	3	the	the	DET
eurjchem-2177	73	4	maximum	maximum	ADJ
eurjchem-2177	73	5	proximity	proximity	NOUN
eurjchem-2177	73	6	of	of	ADP
eurjchem-2177	73	7	neighboring	neighbor	VERB
eurjchem-2177	73	8	molecular	molecular	ADJ
eurjchem-2177	73	9	volumes	volume	NOUN
eurjchem-2177	73	10	,	,	PUNCT
eurjchem-2177	73	11	but	but	CCONJ
eurjchem-2177	73	12	the	the	DET
eurjchem-2177	73	13	volumes	volume	NOUN
eurjchem-2177	73	14	never	never	ADV
eurjchem-2177	73	15	overlap	overlap	VERB
eurjchem-2177	73	16	because	because	SCONJ
eurjchem-2177	73	17	of	of	ADP
eurjchem-2177	73	18	the	the	DET
eurjchem-2177	73	19	nature	nature	NOUN
eurjchem-2177	73	20	of	of	ADP
eurjchem-2177	73	21	the	the	DET
eurjchem-2177	73	22	weight	weight	NOUN
eurjchem-2177	73	23	function	function	NOUN
eurjchem-2177	73	24	.	.	PUNCT
eurjchem-2177	74	1	the	the	DET
eurjchem-2177	74	2	shape	shape	NOUN
eurjchem-2177	74	3	of	of	ADP
eurjchem-2177	74	4	hs	hs	PROPN
eurjchem-2177	74	5	is	be	AUX
eurjchem-2177	74	6	a	a	DET
eurjchem-2177	74	7	function	function	NOUN
eurjchem-2177	74	8	of	of	ADP
eurjchem-2177	74	9	not	not	PART
eurjchem-2177	74	10	only	only	ADV
eurjchem-2177	74	11	the	the	DET
eurjchem-2177	74	12	intermolecular	intermolecular	ADJ
eurjchem-2177	74	13	interactions	interaction	NOUN
eurjchem-2177	74	14	of	of	ADP
eurjchem-2177	74	15	the	the	DET
eurjchem-2177	74	16	crystal	crystal	NOUN
eurjchem-2177	74	17	but	but	CCONJ
eurjchem-2177	74	18	also	also	ADV
eurjchem-2177	74	19	the	the	DET
eurjchem-2177	74	20	interactions	interaction	NOUN
eurjchem-2177	74	21	among	among	ADP
eurjchem-2177	74	22	the	the	DET
eurjchem-2177	74	23	atoms	atom	NOUN
eurjchem-2177	74	24	of	of	ADP
eurjchem-2177	74	25	the	the	DET
eurjchem-2177	74	26	promolecule	promolecule	NOUN
eurjchem-2177	74	27	.	.	PUNCT
eurjchem-2177	75	1	2.4.2	2.4.2	X
eurjchem-2177	75	2	.	.	PUNCT
eurjchem-2177	76	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	76	2	surface	surface	PROPN
eurjchem-2177	76	3	investigation	investigation	NOUN
eurjchem-2177	76	4	the	the	DET
eurjchem-2177	76	5	cif	cif	PROPN
eurjchem-2177	76	6	file	file	NOUN
eurjchem-2177	76	7	generated	generate	VERB
eurjchem-2177	76	8	after	after	ADP
eurjchem-2177	76	9	refinement	refinement	NOUN
eurjchem-2177	76	10	of	of	ADP
eurjchem-2177	76	11	the	the	DET
eurjchem-2177	76	12	structure	structure	NOUN
eurjchem-2177	76	13	in	in	ADP
eurjchem-2177	76	14	shelx	shelx	NOUN
eurjchem-2177	76	15	has	have	AUX
eurjchem-2177	76	16	been	be	AUX
eurjchem-2177	76	17	used	use	VERB
eurjchem-2177	76	18	in	in	ADP
eurjchem-2177	76	19	crystalexplorer	crystalexplorer	NOUN
eurjchem-2177	76	20	17.5	17.5	NUM
eurjchem-2177	76	21	to	to	PART
eurjchem-2177	76	22	create	create	VERB
eurjchem-2177	76	23	the	the	DET
eurjchem-2177	76	24	isosurface	isosurface	NOUN
eurjchem-2177	76	25	hs	hs	PROPN
eurjchem-2177	76	26	and	and	CCONJ
eurjchem-2177	76	27	fingerprint	fingerprint	NOUN
eurjchem-2177	76	28	plots	plot	NOUN
eurjchem-2177	76	29	to	to	PART
eurjchem-2177	76	30	perform	perform	VERB
eurjchem-2177	76	31	an	an	DET
eurjchem-2177	76	32	in	in	ADP
eurjchem-2177	76	33	-	-	PUNCT
eurjchem-2177	76	34	depth	depth	NOUN
eurjchem-2177	76	35	analysis	analysis	NOUN
eurjchem-2177	76	36	of	of	ADP
eurjchem-2177	76	37	intermolecular	intermolecular	ADJ
eurjchem-2177	76	38	contacts	contact	NOUN
eurjchem-2177	76	39	in	in	ADP
eurjchem-2177	76	40	addition	addition	NOUN
eurjchem-2177	76	41	to	to	ADP
eurjchem-2177	76	42	the	the	DET
eurjchem-2177	76	43	various	various	ADJ
eurjchem-2177	76	44	components	component	NOUN
eurjchem-2177	76	45	of	of	ADP
eurjchem-2177	76	46	interaction	interaction	NOUN
eurjchem-2177	76	47	energies	energy	NOUN
eurjchem-2177	76	48	,	,	PUNCT
eurjchem-2177	76	49	around	around	ADP
eurjchem-2177	76	50	the	the	DET
eurjchem-2177	76	51	promolecule	promolecule	NOUN
eurjchem-2177	76	52	and	and	CCONJ
eurjchem-2177	76	53	the	the	DET
eurjchem-2177	76	54	procrystal	procrystal	NOUN
eurjchem-2177	76	55	,	,	PUNCT
eurjchem-2177	76	56	encompassing	encompass	VERB
eurjchem-2177	76	57	the	the	DET
eurjchem-2177	76	58	partitioning	partitioning	NOUN
eurjchem-2177	76	59	of	of	ADP
eurjchem-2177	76	60	crystalline	crystalline	ADJ
eurjchem-2177	76	61	electron	electron	NOUN
eurjchem-2177	76	62	densities	density	NOUN
eurjchem-2177	76	63	.	.	PUNCT
eurjchem-2177	77	1	3	3	X
eurjchem-2177	77	2	.	.	NOUN
eurjchem-2177	77	3	results	result	NOUN
eurjchem-2177	77	4	and	and	CCONJ
eurjchem-2177	77	5	discussion	discussion	NOUN
eurjchem-2177	77	6	3.1	3.1	NUM
eurjchem-2177	77	7	.	.	PUNCT
eurjchem-2177	78	1	crystal	crystal	NOUN
eurjchem-2177	78	2	structure	structure	NOUN
eurjchem-2177	78	3	analysis	analysis	NOUN
eurjchem-2177	78	4	3.1.1	3.1.1	NUM
eurjchem-2177	78	5	.	.	PUNCT
eurjchem-2177	79	1	molecular	molecular	ADJ
eurjchem-2177	79	2	geometry	geometry	NOUN
eurjchem-2177	79	3	the	the	DET
eurjchem-2177	79	4	asymmetric	asymmetric	ADJ
eurjchem-2177	79	5	unit	unit	NOUN
eurjchem-2177	79	6	of	of	ADP
eurjchem-2177	79	7	the	the	DET
eurjchem-2177	79	8	crystal	crystal	NOUN
eurjchem-2177	79	9	of	of	ADP
eurjchem-2177	79	10	the	the	DET
eurjchem-2177	79	11	title	title	NOUN
eurjchem-2177	79	12	compound	compound	NOUN
eurjchem-2177	79	13	contains	contain	VERB
eurjchem-2177	79	14	one	one	NUM
eurjchem-2177	79	15	psma	psma	NOUN
eurjchem-2177	79	16	molecule	molecule	NOUN
eurjchem-2177	79	17	and	and	CCONJ
eurjchem-2177	79	18	the	the	DET
eurjchem-2177	79	19	ortep	ortep	NOUN
eurjchem-2177	79	20	view	view	NOUN
eurjchem-2177	79	21	of	of	ADP
eurjchem-2177	79	22	the	the	DET
eurjchem-2177	79	23	molecule	molecule	NOUN
eurjchem-2177	79	24	is	be	AUX
eurjchem-2177	79	25	shown	show	VERB
eurjchem-2177	79	26	in	in	ADP
eurjchem-2177	79	27	figure	figure	NOUN
eurjchem-2177	79	28	2	2	NUM
eurjchem-2177	79	29	.	.	PUNCT
eurjchem-2177	80	1	the	the	DET
eurjchem-2177	80	2	dihedral	dihedral	ADJ
eurjchem-2177	80	3	angle	angle	NOUN
eurjchem-2177	80	4	between	between	ADP
eurjchem-2177	80	5	the	the	DET
eurjchem-2177	80	6	mean	mean	ADJ
eurjchem-2177	80	7	planes	plane	NOUN
eurjchem-2177	80	8	of	of	ADP
eurjchem-2177	80	9	the	the	DET
eurjchem-2177	80	10	pyrrolidine	pyrrolidine	ADJ
eurjchem-2177	80	11	and	and	CCONJ
eurjchem-2177	80	12	benzene	benzene	NOUN
eurjchem-2177	80	13	ring	ring	NOUN
eurjchem-2177	80	14	systems	system	NOUN
eurjchem-2177	80	15	is	be	AUX
eurjchem-2177	80	16	26.70(14)	26.70(14)	NUM
eurjchem-2177	80	17	°	°	NUM
eurjchem-2177	80	18	.	.	PUNCT
eurjchem-2177	81	1	the	the	DET
eurjchem-2177	81	2	s1	s1	PROPN
eurjchem-2177	81	3	=	=	SYM
eurjchem-2177	81	4	o1	o1	NOUN
eurjchem-2177	81	5	and	and	CCONJ
eurjchem-2177	81	6	s1	s1	NOUN
eurjchem-2177	81	7	=	=	SYM
eurjchem-2177	81	8	o2	o2	ADJ
eurjchem-2177	81	9	bond	bond	NOUN
eurjchem-2177	81	10	lengths	length	NOUN
eurjchem-2177	81	11	are	be	AUX
eurjchem-2177	81	12	identical	identical	ADJ
eurjchem-2177	81	13	with	with	ADP
eurjchem-2177	81	14	the	the	DET
eurjchem-2177	81	15	values	value	NOUN
eurjchem-2177	81	16	of	of	ADP
eurjchem-2177	81	17	1.426(2	1.426(2	NUM
eurjchem-2177	81	18	)	)	PUNCT
eurjchem-2177	81	19	°	°	PROPN
eurjchem-2177	81	20	and	and	CCONJ
eurjchem-2177	81	21	1.427(2	1.427(2	NUM
eurjchem-2177	81	22	)	)	PUNCT
eurjchem-2177	81	23	°	°	NOUN
eurjchem-2177	81	24	,	,	PUNCT
eurjchem-2177	81	25	respectively	respectively	ADV
eurjchem-2177	81	26	,	,	PUNCT
eurjchem-2177	81	27	which	which	PRON
eurjchem-2177	81	28	are	be	AUX
eurjchem-2177	81	29	in	in	ADP
eurjchem-2177	81	30	line	line	NOUN
eurjchem-2177	81	31	with	with	ADP
eurjchem-2177	81	32	the	the	DET
eurjchem-2177	81	33	known	know	VERB
eurjchem-2177	81	34	values	value	NOUN
eurjchem-2177	81	35	.	.	PUNCT
eurjchem-2177	82	1	the	the	DET
eurjchem-2177	82	2	s1	s1	NOUN
eurjchem-2177	82	3	-	-	PUNCT
eurjchem-2177	82	4	n2	n2	NOUN
eurjchem-2177	82	5	and	and	CCONJ
eurjchem-2177	82	6	s1	s1	NOUN
eurjchem-2177	82	7	-	-	PUNCT
eurjchem-2177	82	8	c7	c7	PROPN
eurjchem-2177	82	9	bond	bond	NOUN
eurjchem-2177	82	10	lengths	length	NOUN
eurjchem-2177	82	11	are	be	AUX
eurjchem-2177	82	12	1.607(3	1.607(3	NUM
eurjchem-2177	82	13	)	)	PUNCT
eurjchem-2177	82	14	and	and	CCONJ
eurjchem-2177	82	15	1.779(3	1.779(3	NUM
eurjchem-2177	82	16	)	)	PUNCT
eurjchem-2177	82	17	å	å	NOUN
eurjchem-2177	82	18	,	,	PUNCT
eurjchem-2177	82	19	respectively	respectively	ADV
eurjchem-2177	82	20	,	,	PUNCT
eurjchem-2177	82	21	with	with	ADP
eurjchem-2177	82	22	an	an	DET
eurjchem-2177	82	23	n2s1	n2s1	NOUN
eurjchem-2177	82	24	-	-	PUNCT
eurjchem-2177	82	25	c7	c7	PROPN
eurjchem-2177	82	26	bond	bond	NOUN
eurjchem-2177	82	27	angle	angle	NOUN
eurjchem-2177	82	28	of	of	ADP
eurjchem-2177	82	29	106.49(10)	106.49(10)	NOUN
eurjchem-2177	82	30	°	°	PROPN
eurjchem-2177	82	31	.	.	PUNCT
eurjchem-2177	83	1	the	the	DET
eurjchem-2177	83	2	torsion	torsion	NOUN
eurjchem-2177	83	3	angles	angle	NOUN
eurjchem-2177	83	4	of	of	ADP
eurjchem-2177	83	5	both	both	CCONJ
eurjchem-2177	83	6	the	the	DET
eurjchem-2177	83	7	c	c	NOUN
eurjchem-2177	83	8	-	-	PUNCT
eurjchem-2177	83	9	n	n	NOUN
eurjchem-2177	83	10	bonds	bond	NOUN
eurjchem-2177	83	11	of	of	ADP
eurjchem-2177	83	12	the	the	DET
eurjchem-2177	83	13	pyrrolidine	pyrrolidine	ADJ
eurjchem-2177	83	14	ring	ring	NOUN
eurjchem-2177	83	15	to	to	ADP
eurjchem-2177	83	16	the	the	DET
eurjchem-2177	83	17	s1	s1	NOUN
eurjchem-2177	83	18	-	-	PUNCT
eurjchem-2177	83	19	c7	c7	PROPN
eurjchem-2177	83	20	bond	bond	NOUN
eurjchem-2177	83	21	are	be	AUX
eurjchem-2177	83	22	:	:	PUNCT
eurjchem-2177	83	23	c11n2	c11n2	NOUN
eurjchem-2177	83	24	-	-	PUNCT
eurjchem-2177	83	25	s1	s1	NOUN
eurjchem-2177	83	26	-	-	PUNCT
eurjchem-2177	83	27	c7	c7	NOUN
eurjchem-2177	83	28	=	=	PUNCT
eurjchem-2177	83	29	-171.70(17	-171.70(17	PROPN
eurjchem-2177	83	30	)	)	PUNCT
eurjchem-2177	83	31	°	°	PROPN
eurjchem-2177	83	32	and	and	CCONJ
eurjchem-2177	83	33	c8	c8	PROPN
eurjchem-2177	83	34	-	-	PUNCT
eurjchem-2177	83	35	n2	n2	ADJ
eurjchem-2177	83	36	-	-	PUNCT
eurjchem-2177	83	37	s1	s1	NOUN
eurjchem-2177	83	38	-	-	PUNCT
eurjchem-2177	83	39	c7	c7	NOUN
eurjchem-2177	83	40	=	=	PUNCT
eurjchem-2177	83	41	-72.21(19)	-72.21(19)	PROPN
eurjchem-2177	83	42	°	°	PROPN
eurjchem-2177	83	43	.	.	PUNCT
eurjchem-2177	84	1	a	a	DET
eurjchem-2177	84	2	conformational	conformational	ADJ
eurjchem-2177	84	3	analysis	analysis	NOUN
eurjchem-2177	84	4	of	of	ADP
eurjchem-2177	84	5	the	the	DET
eurjchem-2177	84	6	five	five	NUM
eurjchem-2177	84	7	-	-	PUNCT
eurjchem-2177	84	8	membered	membere	VERB
eurjchem-2177	84	9	pyrrolidine	pyrrolidine	NOUN
eurjchem-2177	84	10	ring	ring	NOUN
eurjchem-2177	84	11	gives	give	VERB
eurjchem-2177	84	12	a	a	DET
eurjchem-2177	84	13	puckering	pucker	VERB
eurjchem-2177	84	14	amplitude	amplitude	NOUN
eurjchem-2177	84	15	(	(	PUNCT
eurjchem-2177	84	16	φ2	φ2	NOUN
eurjchem-2177	84	17	)	)	PUNCT
eurjchem-2177	84	18	parameter	parameter	NOUN
eurjchem-2177	84	19	of	of	ADP
eurjchem-2177	84	20	0.331(3	0.331(3	NUM
eurjchem-2177	84	21	)	)	PUNCT
eurjchem-2177	84	22	°	°	PROPN
eurjchem-2177	84	23	and	and	CCONJ
eurjchem-2177	84	24	a	a	DET
eurjchem-2177	84	25	ψ2	ψ2	NOUN
eurjchem-2177	84	26	parameter	parameter	NOUN
eurjchem-2177	84	27	of	of	ADP
eurjchem-2177	84	28	112.1(5)	112.1(5)	PROPN
eurjchem-2177	84	29	°	°	PROPN
eurjchem-2177	84	30	.	.	PUNCT
eurjchem-2177	85	1	consequently	consequently	ADV
eurjchem-2177	85	2	,	,	PUNCT
eurjchem-2177	85	3	this	this	DET
eurjchem-2177	85	4	ring	ring	NOUN
eurjchem-2177	85	5	is	be	AUX
eurjchem-2177	85	6	in	in	ADP
eurjchem-2177	85	7	a	a	DET
eurjchem-2177	85	8	half	half	ADJ
eurjchem-2177	85	9	chair	chair	NOUN
eurjchem-2177	85	10	conformation	conformation	NOUN
eurjchem-2177	85	11	with	with	ADP
eurjchem-2177	85	12	a	a	DET
eurjchem-2177	85	13	twist	twist	NOUN
eurjchem-2177	85	14	along	along	ADP
eurjchem-2177	85	15	c9	c9	NOUN
eurjchem-2177	85	16	-	-	PUNCT
eurjchem-2177	85	17	c10	c10	PROPN
eurjchem-2177	85	18	bond	bond	NOUN
eurjchem-2177	85	19	.	.	PUNCT
eurjchem-2177	86	1	generally	generally	ADV
eurjchem-2177	86	2	,	,	PUNCT
eurjchem-2177	86	3	the	the	DET
eurjchem-2177	86	4	bond	bond	NOUN
eurjchem-2177	86	5	lengths	length	NOUN
eurjchem-2177	86	6	and	and	CCONJ
eurjchem-2177	86	7	angles	angle	NOUN
eurjchem-2177	86	8	are	be	AUX
eurjchem-2177	86	9	found	find	VERB
eurjchem-2177	86	10	to	to	PART
eurjchem-2177	86	11	be	be	AUX
eurjchem-2177	86	12	normal	normal	ADJ
eurjchem-2177	86	13	[	[	X
eurjchem-2177	86	14	36	36	NUM
eurjchem-2177	86	15	]	]	PUNCT
eurjchem-2177	86	16	.	.	PUNCT
eurjchem-2177	87	1	3.1.2	3.1.2	X
eurjchem-2177	87	2	.	.	PUNCT
eurjchem-2177	87	3	supramolecular	supramolecular	ADJ
eurjchem-2177	87	4	features	feature	NOUN
eurjchem-2177	87	5	in	in	ADP
eurjchem-2177	87	6	the	the	DET
eurjchem-2177	87	7	crystal	crystal	NOUN
eurjchem-2177	87	8	structure	structure	NOUN
eurjchem-2177	87	9	of	of	ADP
eurjchem-2177	87	10	the	the	DET
eurjchem-2177	87	11	title	title	NOUN
eurjchem-2177	87	12	compound	compound	NOUN
eurjchem-2177	87	13	,	,	PUNCT
eurjchem-2177	87	14	the	the	DET
eurjchem-2177	87	15	molecules	molecule	NOUN
eurjchem-2177	87	16	are	be	AUX
eurjchem-2177	87	17	linked	link	VERB
eurjchem-2177	87	18	by	by	ADP
eurjchem-2177	87	19	n	n	CCONJ
eurjchem-2177	87	20	-	-	PUNCT
eurjchem-2177	87	21	h···o	h···o	PROPN
eurjchem-2177	87	22	hydrogen	hydrogen	NOUN
eurjchem-2177	87	23	bonds	bond	NOUN
eurjchem-2177	87	24	and	and	CCONJ
eurjchem-2177	87	25	c	c	NOUN
eurjchem-2177	87	26	-	-	PUNCT
eurjchem-2177	87	27	h···π	h···π	PROPN
eurjchem-2177	87	28	interactions	interaction	NOUN
eurjchem-2177	87	29	as	as	SCONJ
eurjchem-2177	87	30	shown	show	VERB
eurjchem-2177	87	31	in	in	ADP
eurjchem-2177	87	32	figure	figure	NOUN
eurjchem-2177	87	33	3a	3a	NUM
eurjchem-2177	87	34	and	and	CCONJ
eurjchem-2177	87	35	b.	b.	PROPN
eurjchem-2177	87	36	table	table	NOUN
eurjchem-2177	87	37	2	2	NUM
eurjchem-2177	87	38	gives	give	VERB
eurjchem-2177	87	39	the	the	DET
eurjchem-2177	87	40	hydrogen	hydrogen	NOUN
eurjchem-2177	87	41	bond	bond	NOUN
eurjchem-2177	87	42	information	information	NOUN
eurjchem-2177	87	43	.	.	PUNCT
eurjchem-2177	88	1	422	422	NUM
eurjchem-2177	88	2	krishnan	krishnan	NOUN
eurjchem-2177	88	3	et	et	PROPN
eurjchem-2177	88	4	al	al	PROPN
eurjchem-2177	88	5	.	.	PUNCT
eurjchem-2177	88	6	/	/	SYM
eurjchem-2177	88	7	european	european	PROPN
eurjchem-2177	88	8	journal	journal	PROPN
eurjchem-2177	88	9	of	of	ADP
eurjchem-2177	88	10	chemistry	chemistry	NOUN
eurjchem-2177	88	11	12	12	NUM
eurjchem-2177	88	12	(	(	PUNCT
eurjchem-2177	88	13	4	4	NUM
eurjchem-2177	88	14	)	)	PUNCT
eurjchem-2177	88	15	(	(	PUNCT
eurjchem-2177	88	16	2021	2021	NUM
eurjchem-2177	88	17	)	)	PUNCT
eurjchem-2177	88	18	419	419	NUM
eurjchem-2177	88	19	-	-	SYM
eurjchem-2177	88	20	431	431	NUM
eurjchem-2177	88	21	2021	2021	NUM
eurjchem-2177	88	22	–	–	PUNCT
eurjchem-2177	88	23	european	european	ADJ
eurjchem-2177	88	24	journal	journal	NOUN
eurjchem-2177	88	25	of	of	ADP
eurjchem-2177	88	26	chemistry	chemistry	NOUN
eurjchem-2177	88	27	–	–	PUNCT
eurjchem-2177	88	28	cc	cc	NOUN
eurjchem-2177	88	29	by	by	ADP
eurjchem-2177	88	30	nc	nc	PROPN
eurjchem-2177	88	31	–	–	PUNCT
eurjchem-2177	88	32	doi	doi	NOUN
eurjchem-2177	88	33	:	:	PUNCT
eurjchem-2177	88	34	10.5155	10.5155	NUM
eurjchem-2177	88	35	/	/	SYM
eurjchem-2177	88	36	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	88	37	-	-	ADJ
eurjchem-2177	88	38	431.2177	431.2177	NUM
eurjchem-2177	88	39	table	table	NOUN
eurjchem-2177	88	40	3	3	NUM
eurjchem-2177	88	41	.	.	PUNCT
eurjchem-2177	88	42	comparison	comparison	NOUN
eurjchem-2177	88	43	of	of	ADP
eurjchem-2177	88	44	the	the	DET
eurjchem-2177	88	45	geometrical	geometrical	ADJ
eurjchem-2177	88	46	parameters	parameter	NOUN
eurjchem-2177	88	47	calculated	calculate	VERB
eurjchem-2177	88	48	and	and	CCONJ
eurjchem-2177	88	49	experimental	experimental	ADJ
eurjchem-2177	88	50	of	of	ADP
eurjchem-2177	88	51	psma	psma	NOUN
eurjchem-2177	88	52	.	.	PUNCT
eurjchem-2177	89	1	bond	bond	NOUN
eurjchem-2177	89	2	length	length	NOUN
eurjchem-2177	89	3	(	(	PUNCT
eurjchem-2177	89	4	å	å	NOUN
eurjchem-2177	89	5	)	)	PUNCT
eurjchem-2177	89	6	calculated	calculate	VERB
eurjchem-2177	89	7	experimental	experimental	ADJ
eurjchem-2177	89	8	bond	bond	NOUN
eurjchem-2177	89	9	angle	angle	NOUN
eurjchem-2177	89	10	(	(	PUNCT
eurjchem-2177	89	11	°	°	PRON
eurjchem-2177	89	12	)	)	PUNCT
eurjchem-2177	89	13	calculated	calculate	VERB
eurjchem-2177	89	14	experimental	experimental	ADJ
eurjchem-2177	89	15	c1	c1	PROPN
eurjchem-2177	89	16	-	-	PUNCT
eurjchem-2177	89	17	c2	c2	PROPN
eurjchem-2177	89	18	1.39911	1.39911	NUM
eurjchem-2177	89	19	1.385(3	1.385(3	NUM
eurjchem-2177	89	20	)	)	PUNCT
eurjchem-2177	89	21	n11	n11	PROPN
eurjchem-2177	89	22	-	-	PUNCT
eurjchem-2177	89	23	c12	c12	NOUN
eurjchem-2177	89	24	-	-	PUNCT
eurjchem-2177	89	25	c13	c13	NOUN
eurjchem-2177	89	26	103.006	103.006	NUM
eurjchem-2177	89	27	104.3(2	104.3(2	NUM
eurjchem-2177	89	28	)	)	PUNCT
eurjchem-2177	89	29	c2	c2	PROPN
eurjchem-2177	89	30	-	-	PUNCT
eurjchem-2177	89	31	c3	c3	PROPN
eurjchem-2177	89	32	1.38807	1.38807	NUM
eurjchem-2177	89	33	1.370(4	1.370(4	NUM
eurjchem-2177	89	34	)	)	PUNCT
eurjchem-2177	89	35	c12	c12	NOUN
eurjchem-2177	89	36	-	-	PUNCT
eurjchem-2177	89	37	c13	c13	PROPN
eurjchem-2177	89	38	-	-	PUNCT
eurjchem-2177	89	39	c14	c14	NOUN
eurjchem-2177	89	40	103.371	103.371	NUM
eurjchem-2177	89	41	106.393	106.393	NUM
eurjchem-2177	89	42	)	)	PUNCT
eurjchem-2177	89	43	c3	c3	PROPN
eurjchem-2177	89	44	-	-	PUNCT
eurjchem-2177	89	45	c4	c4	PROPN
eurjchem-2177	89	46	1.40305	1.40305	NUM
eurjchem-2177	89	47	1.390(3	1.390(3	NUM
eurjchem-2177	89	48	)	)	PUNCT
eurjchem-2177	89	49	c13	c13	PROPN
eurjchem-2177	89	50	-	-	PUNCT
eurjchem-2177	89	51	c14	c14	NOUN
eurjchem-2177	89	52	-	-	PUNCT
eurjchem-2177	89	53	c15	c15	NOUN
eurjchem-2177	89	54	103.218	103.218	NUM
eurjchem-2177	89	55	104.5(3	104.5(3	NUM
eurjchem-2177	89	56	)	)	PUNCT
eurjchem-2177	89	57	c4	c4	NOUN
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eurjchem-2177	89	434	-	-	PUNCT
eurjchem-2177	89	435	c7	c7	PROPN
eurjchem-2177	89	436	121.018	121.018	NUM
eurjchem-2177	89	437	120.85(19	120.85(19	NUM
eurjchem-2177	89	438	)	)	PUNCT
eurjchem-2177	89	439	o10	o10	NOUN
eurjchem-2177	89	440	-	-	PUNCT
eurjchem-2177	89	441	s8	s8	NOUN
eurjchem-2177	89	442	-	-	PUNCT
eurjchem-2177	89	443	n11	n11	NOUN
eurjchem-2177	89	444	-	-	PUNCT
eurjchem-2177	89	445	c12	c12	NOUN
eurjchem-2177	89	446	-141.686	-141.686	PUNCT
eurjchem-2177	89	447	171.78(18	171.78(18	NUM
eurjchem-2177	89	448	)	)	PUNCT
eurjchem-2177	89	449	c2	c2	PROPN
eurjchem-2177	89	450	-	-	PUNCT
eurjchem-2177	89	451	c1	c1	PROPN
eurjchem-2177	89	452	-	-	PUNCT
eurjchem-2177	89	453	c7	c7	PROPN
eurjchem-2177	89	454	120.932	120.932	NUM
eurjchem-2177	89	455	121.70(19	121.70(19	NUM
eurjchem-2177	89	456	)	)	PUNCT
eurjchem-2177	89	457	o10	o10	NOUN
eurjchem-2177	89	458	-	-	PUNCT
eurjchem-2177	89	459	s8	s8	NOUN
eurjchem-2177	89	460	-	-	PUNCT
eurjchem-2177	89	461	n11	n11	NOUN
eurjchem-2177	89	462	-	-	PUNCT
eurjchem-2177	89	463	c15	c15	NOUN
eurjchem-2177	89	464	3.358	3.358	NUM
eurjchem-2177	89	465	-43.71(19	-43.71(19	NUM
eurjchem-2177	89	466	)	)	PUNCT
eurjchem-2177	89	467	c1	c1	PROPN
eurjchem-2177	89	468	-	-	PUNCT
eurjchem-2177	89	469	c7	c7	PROPN
eurjchem-2177	89	470	-	-	PUNCT
eurjchem-2177	89	471	s8	s8	PROPN
eurjchem-2177	89	472	112.904	112.904	NUM
eurjchem-2177	89	473	113.03(15	113.03(15	NUM
eurjchem-2177	89	474	)	)	PUNCT
eurjchem-2177	89	475	s8	s8	NOUN
eurjchem-2177	89	476	-	-	PUNCT
eurjchem-2177	89	477	n11	n11	NOUN
eurjchem-2177	89	478	-	-	PUNCT
eurjchem-2177	89	479	c12	c12	NOUN
eurjchem-2177	89	480	-	-	PUNCT
eurjchem-2177	89	481	c13	c13	PROPN
eurjchem-2177	89	482	162.094	162.094	NUM
eurjchem-2177	89	483	150.8(2	150.8(2	NUM
eurjchem-2177	89	484	)	)	PUNCT
eurjchem-2177	89	485	c7	c7	PROPN
eurjchem-2177	89	486	-	-	PUNCT
eurjchem-2177	89	487	s8	s8	PROPN
eurjchem-2177	89	488	-	-	PUNCT
eurjchem-2177	89	489	o9	o9	NOUN
eurjchem-2177	89	490	107.680	107.680	NUM
eurjchem-2177	89	491	108.27(11	108.27(11	NUM
eurjchem-2177	89	492	)	)	PUNCT
eurjchem-2177	89	493	s8	s8	NOUN
eurjchem-2177	89	494	-	-	PUNCT
eurjchem-2177	89	495	n11	n11	NOUN
eurjchem-2177	89	496	-	-	PUNCT
eurjchem-2177	89	497	c15	c15	NOUN
eurjchem-2177	89	498	-	-	PUNCT
eurjchem-2177	89	499	c14	c14	NOUN
eurjchem-2177	89	500	-137.214	-137.214	PROPN
eurjchem-2177	89	501	-170.84(18	-170.84(18	PROPN
eurjchem-2177	89	502	)	)	PUNCT
eurjchem-2177	89	503	c7	c7	PROPN
eurjchem-2177	89	504	-	-	PUNCT
eurjchem-2177	89	505	s8	s8	PROPN
eurjchem-2177	89	506	-	-	PUNCT
eurjchem-2177	89	507	o10	o10	NOUN
eurjchem-2177	89	508	107.668	107.668	NUM
eurjchem-2177	89	509	108.61(12	108.61(12	NUM
eurjchem-2177	89	510	)	)	PUNCT
eurjchem-2177	89	511	n11	n11	PROPN
eurjchem-2177	89	512	-	-	PUNCT
eurjchem-2177	89	513	c12	c12	NOUN
eurjchem-2177	89	514	-	-	PUNCT
eurjchem-2177	89	515	c13	c13	PROPN
eurjchem-2177	89	516	-	-	PUNCT
eurjchem-2177	89	517	c14	c14	PROPN
eurjchem-2177	89	518	-32.726	-32.726	PROPN
eurjchem-2177	89	519	18.8(3	18.8(3	PROPN
eurjchem-2177	89	520	)	)	PUNCT
eurjchem-2177	89	521	o9	o9	PROPN
eurjchem-2177	89	522	-	-	PUNCT
eurjchem-2177	89	523	s8	s8	NOUN
eurjchem-2177	89	524	-	-	PUNCT
eurjchem-2177	89	525	n11	n11	PROPN
eurjchem-2177	89	526	108.087	108.087	NUM
eurjchem-2177	89	527	107.81(10	107.81(10	NUM
eurjchem-2177	89	528	)	)	PUNCT
eurjchem-2177	89	529	c12	c12	PROPN
eurjchem-2177	89	530	-	-	PUNCT
eurjchem-2177	89	531	c13	c13	PROPN
eurjchem-2177	89	532	-	-	PUNCT
eurjchem-2177	89	533	c14	c14	NOUN
eurjchem-2177	89	534	-	-	PUNCT
eurjchem-2177	89	535	c15	c15	NOUN
eurjchem-2177	89	536	39.509	39.509	NUM
eurjchem-2177	89	537	-33.2(3	-33.2(3	NOUN
eurjchem-2177	89	538	)	)	PUNCT
eurjchem-2177	89	539	o10	o10	NOUN
eurjchem-2177	89	540	-	-	PUNCT
eurjchem-2177	89	541	s8	s8	NOUN
eurjchem-2177	89	542	-	-	PUNCT
eurjchem-2177	89	543	n11	n11	NOUN
eurjchem-2177	89	544	108.243	108.243	NUM
eurjchem-2177	89	545	107.01(11	107.01(11	NUM
eurjchem-2177	89	546	)	)	PUNCT
eurjchem-2177	89	547	c13	c13	PROPN
eurjchem-2177	89	548	-	-	PUNCT
eurjchem-2177	89	549	c14	c14	NOUN
eurjchem-2177	89	550	-	-	PUNCT
eurjchem-2177	89	551	c15	c15	NOUN
eurjchem-2177	89	552	-	-	PUNCT
eurjchem-2177	89	553	n11	n11	ADJ
eurjchem-2177	89	554	-30.418	-30.418	PROPN
eurjchem-2177	89	555	33.9(3	33.9(3	NUM
eurjchem-2177	89	556	)	)	PUNCT
eurjchem-2177	89	557	s8	s8	NOUN
eurjchem-2177	89	558	-	-	PUNCT
eurjchem-2177	89	559	n11	n11	NOUN
eurjchem-2177	89	560	-	-	PUNCT
eurjchem-2177	89	561	c12	c12	NOUN
eurjchem-2177	89	562	119.220	119.220	NUM
eurjchem-2177	89	563	120.92(16	120.92(16	NUM
eurjchem-2177	89	564	)	)	PUNCT
eurjchem-2177	89	565	c14	c14	NOUN
eurjchem-2177	89	566	-	-	PUNCT
eurjchem-2177	89	567	c15	c15	NOUN
eurjchem-2177	89	568	-	-	PUNCT
eurjchem-2177	89	569	n11	n11	NOUN
eurjchem-2177	89	570	-	-	PUNCT
eurjchem-2177	89	571	c12	c12	PROPN
eurjchem-2177	89	572	10.267	10.267	NUM
eurjchem-2177	89	573	-22.9(3	-22.9(3	PROPN
eurjchem-2177	89	574	)	)	PUNCT
eurjchem-2177	89	575	s8	s8	PROPN
eurjchem-2177	89	576	-	-	PUNCT
eurjchem-2177	89	577	n11	n11	NOUN
eurjchem-2177	89	578	-	-	PUNCT
eurjchem-2177	89	579	c15	c15	NOUN
eurjchem-2177	89	580	120.603	120.603	NUM
eurjchem-2177	89	581	120.30(16	120.30(16	NUM
eurjchem-2177	89	582	)	)	PUNCT
eurjchem-2177	89	583	c15	c15	NOUN
eurjchem-2177	89	584	-	-	PUNCT
eurjchem-2177	89	585	n11	n11	NOUN
eurjchem-2177	89	586	-	-	PUNCT
eurjchem-2177	89	587	c12	c12	NOUN
eurjchem-2177	89	588	-	-	PUNCT
eurjchem-2177	89	589	c13	c13	NOUN
eurjchem-2177	89	590	14.110	14.110	NUM
eurjchem-2177	89	591	3.0(3	3.0(3	NUM
eurjchem-2177	89	592	)	)	PUNCT
eurjchem-2177	89	593	figure	figure	NOUN
eurjchem-2177	89	594	4	4	NUM
eurjchem-2177	89	595	.	.	PUNCT
eurjchem-2177	89	596	numbering	number	VERB
eurjchem-2177	89	597	system	system	NOUN
eurjchem-2177	89	598	adopted	adopt	VERB
eurjchem-2177	89	599	for	for	ADP
eurjchem-2177	89	600	computation	computation	NOUN
eurjchem-2177	89	601	in	in	ADP
eurjchem-2177	89	602	psma	psma	NOUN
eurjchem-2177	89	603	.	.	PUNCT
eurjchem-2177	90	1	the	the	DET
eurjchem-2177	90	2	two	two	NUM
eurjchem-2177	90	3	strong	strong	ADJ
eurjchem-2177	90	4	n	n	CCONJ
eurjchem-2177	90	5	-	-	PUNCT
eurjchem-2177	90	6	h···o	h···o	PROPN
eurjchem-2177	90	7	hydrogen	hydrogen	NOUN
eurjchem-2177	90	8	bonds	bond	NOUN
eurjchem-2177	90	9	are	be	AUX
eurjchem-2177	90	10	formed	form	VERB
eurjchem-2177	90	11	by	by	ADP
eurjchem-2177	90	12	the	the	DET
eurjchem-2177	90	13	interaction	interaction	NOUN
eurjchem-2177	90	14	of	of	ADP
eurjchem-2177	90	15	the	the	DET
eurjchem-2177	90	16	amino	amino	NOUN
eurjchem-2177	90	17	nitrogen	nitrogen	NOUN
eurjchem-2177	90	18	atom	atom	NOUN
eurjchem-2177	90	19	(	(	PUNCT
eurjchem-2177	90	20	n1	n1	NOUN
eurjchem-2177	90	21	)	)	PUNCT
eurjchem-2177	90	22	with	with	ADP
eurjchem-2177	90	23	the	the	DET
eurjchem-2177	90	24	sulfonamide	sulfonamide	NOUN
eurjchem-2177	90	25	oxygen	oxygen	NOUN
eurjchem-2177	90	26	atoms	atom	NOUN
eurjchem-2177	90	27	o1	o1	NOUN
eurjchem-2177	90	28	and	and	CCONJ
eurjchem-2177	90	29	o2	o2	PROPN
eurjchem-2177	90	30	via	via	ADP
eurjchem-2177	90	31	a	a	DET
eurjchem-2177	90	32	pair	pair	NOUN
eurjchem-2177	90	33	of	of	ADP
eurjchem-2177	90	34	n1	n1	NOUN
eurjchem-2177	90	35	-	-	PUNCT
eurjchem-2177	90	36	h1a···o1	h1a···o1	PROPN
eurjchem-2177	90	37	and	and	CCONJ
eurjchem-2177	90	38	n1	n1	NOUN
eurjchem-2177	90	39	-	-	PUNCT
eurjchem-2177	90	40	h1b···o2	h1b···o2	PROPN
eurjchem-2177	90	41	hydrogen	hydrogen	NOUN
eurjchem-2177	90	42	bonds	bond	NOUN
eurjchem-2177	90	43	forming	form	VERB
eurjchem-2177	90	44	a	a	DET
eurjchem-2177	90	45	ring	ring	NOUN
eurjchem-2177	90	46	motif	motif	NOUN
eurjchem-2177	90	47	of	of	ADP
eurjchem-2177	90	48	r22(18	r22(18	NOUN
eurjchem-2177	90	49	)	)	PUNCT
eurjchem-2177	90	50	.	.	PUNCT
eurjchem-2177	91	1	the	the	DET
eurjchem-2177	91	2	adjacent	adjacent	ADJ
eurjchem-2177	91	3	ring	ring	NOUN
eurjchem-2177	91	4	motifs	motif	NOUN
eurjchem-2177	91	5	are	be	AUX
eurjchem-2177	91	6	connected	connect	VERB
eurjchem-2177	91	7	into	into	ADP
eurjchem-2177	91	8	sheets	sheet	NOUN
eurjchem-2177	91	9	in	in	ADP
eurjchem-2177	91	10	the	the	DET
eurjchem-2177	91	11	bcplane	bcplane	NOUN
eurjchem-2177	91	12	.	.	PUNCT
eurjchem-2177	92	1	these	these	DET
eurjchem-2177	92	2	adjacent	adjacent	ADJ
eurjchem-2177	92	3	sheets	sheet	NOUN
eurjchem-2177	92	4	are	be	AUX
eurjchem-2177	92	5	further	far	ADV
eurjchem-2177	92	6	interconnected	interconnect	VERB
eurjchem-2177	92	7	via	via	ADP
eurjchem-2177	92	8	weak	weak	ADJ
eurjchem-2177	92	9	c7	c7	PROPN
eurjchem-2177	92	10	-	-	PUNCT
eurjchem-2177	92	11	h7···π	h7···π	NOUN
eurjchem-2177	92	12	aryl	aryl	NOUN
eurjchem-2177	92	13	interactions	interaction	NOUN
eurjchem-2177	92	14	involving	involve	VERB
eurjchem-2177	92	15	the	the	DET
eurjchem-2177	92	16	centroid	centroid	NOUN
eurjchem-2177	92	17	of	of	ADP
eurjchem-2177	92	18	the	the	DET
eurjchem-2177	92	19	benzene	benzene	NOUN
eurjchem-2177	92	20	ring	ring	NOUN
eurjchem-2177	92	21	with	with	ADP
eurjchem-2177	92	22	a	a	DET
eurjchem-2177	92	23	distance	distance	NOUN
eurjchem-2177	92	24	of	of	ADP
eurjchem-2177	92	25	3.587	3.587	NUM
eurjchem-2177	92	26	a	a	DET
eurjchem-2177	92	27	�	�	PROPN
eurjchem-2177	92	28	between	between	ADP
eurjchem-2177	92	29	c···π	c···π	PROPN
eurjchem-2177	92	30	which	which	PRON
eurjchem-2177	92	31	is	be	AUX
eurjchem-2177	92	32	less	less	ADJ
eurjchem-2177	92	33	than	than	ADP
eurjchem-2177	92	34	the	the	DET
eurjchem-2177	92	35	typical	typical	ADJ
eurjchem-2177	92	36	~4.5	~4.5	NOUN
eurjchem-2177	92	37	a	a	DET
eurjchem-2177	92	38	�	�	PROPN
eurjchem-2177	92	39	distance	distance	NOUN
eurjchem-2177	92	40	of	of	ADP
eurjchem-2177	92	41	hydrophobic	hydrophobic	NOUN
eurjchem-2177	92	42	contacts	contact	NOUN
eurjchem-2177	92	43	.	.	PUNCT
eurjchem-2177	93	1	all	all	DET
eurjchem-2177	93	2	these	these	DET
eurjchem-2177	93	3	interactions	interaction	NOUN
eurjchem-2177	93	4	led	lead	VERB
eurjchem-2177	93	5	to	to	ADP
eurjchem-2177	93	6	a	a	DET
eurjchem-2177	93	7	three	three	NUM
eurjchem-2177	93	8	-	-	PUNCT
eurjchem-2177	93	9	dimensional	dimensional	ADJ
eurjchem-2177	93	10	network	network	NOUN
eurjchem-2177	93	11	as	as	SCONJ
eurjchem-2177	93	12	shown	show	VERB
eurjchem-2177	93	13	in	in	ADP
eurjchem-2177	93	14	figure	figure	NOUN
eurjchem-2177	93	15	3	3	NUM
eurjchem-2177	93	16	.	.	PUNCT
eurjchem-2177	94	1	an	an	DET
eurjchem-2177	94	2	analysis	analysis	NOUN
eurjchem-2177	94	3	of	of	ADP
eurjchem-2177	94	4	csd	csd	NOUN
eurjchem-2177	94	5	reveals	reveal	VERB
eurjchem-2177	94	6	that	that	SCONJ
eurjchem-2177	94	7	there	there	PRON
eurjchem-2177	94	8	are	be	VERB
eurjchem-2177	94	9	five	five	NUM
eurjchem-2177	94	10	structures	structure	NOUN
eurjchem-2177	94	11	related	relate	VERB
eurjchem-2177	94	12	to	to	ADP
eurjchem-2177	94	13	psma	psma	VERB
eurjchem-2177	94	14	,	,	PUNCT
eurjchem-2177	94	15	four	four	NUM
eurjchem-2177	94	16	of	of	ADP
eurjchem-2177	94	17	them	they	PRON
eurjchem-2177	94	18	being	be	AUX
eurjchem-2177	94	19	directly	directly	ADV
eurjchem-2177	94	20	related	relate	VERB
eurjchem-2177	94	21	to	to	ADP
eurjchem-2177	94	22	almotriptan	almotriptan	ADJ
eurjchem-2177	94	23	,	,	PUNCT
eurjchem-2177	94	24	one	one	NUM
eurjchem-2177	94	25	being	be	AUX
eurjchem-2177	94	26	the	the	DET
eurjchem-2177	94	27	structure	structure	NOUN
eurjchem-2177	94	28	of	of	ADP
eurjchem-2177	94	29	pure	pure	ADJ
eurjchem-2177	94	30	almotriptan	almotriptan	ADJ
eurjchem-2177	94	31	[	[	X
eurjchem-2177	94	32	37	37	NUM
eurjchem-2177	94	33	]	]	PUNCT
eurjchem-2177	94	34	and	and	CCONJ
eurjchem-2177	94	35	the	the	DET
eurjchem-2177	94	36	other	other	ADJ
eurjchem-2177	94	37	three	three	NUM
eurjchem-2177	94	38	being	be	AUX
eurjchem-2177	94	39	the	the	DET
eurjchem-2177	94	40	acid	acid	NOUN
eurjchem-2177	94	41	salts	salt	NOUN
eurjchem-2177	94	42	of	of	ADP
eurjchem-2177	94	43	almotriptan	almotriptan	ADJ
eurjchem-2177	94	44	with	with	ADP
eurjchem-2177	94	45	malic	malic	ADJ
eurjchem-2177	94	46	acid	acid	NOUN
eurjchem-2177	95	1	[	[	X
eurjchem-2177	95	2	37	37	NUM
eurjchem-2177	95	3	]	]	PUNCT
eurjchem-2177	95	4	,	,	PUNCT
eurjchem-2177	95	5	oxalic	oxalic	NOUN
eurjchem-2177	95	6	acid	acid	NOUN
eurjchem-2177	95	7	and	and	CCONJ
eurjchem-2177	95	8	terephthalic	terephthalic	ADJ
eurjchem-2177	95	9	acid	acid	NOUN
eurjchem-2177	96	1	[	[	X
eurjchem-2177	96	2	38	38	NUM
eurjchem-2177	96	3	]	]	PUNCT
eurjchem-2177	96	4	.	.	PUNCT
eurjchem-2177	97	1	in	in	ADP
eurjchem-2177	97	2	all	all	DET
eurjchem-2177	97	3	the	the	DET
eurjchem-2177	97	4	three	three	NUM
eurjchem-2177	97	5	acid	acid	ADJ
eurjchem-2177	97	6	salts	salt	NOUN
eurjchem-2177	97	7	of	of	ADP
eurjchem-2177	97	8	almotriptan	almotriptan	ADJ
eurjchem-2177	97	9	,	,	PUNCT
eurjchem-2177	97	10	protonation	protonation	NOUN
eurjchem-2177	97	11	occurs	occur	VERB
eurjchem-2177	97	12	only	only	ADV
eurjchem-2177	97	13	in	in	ADP
eurjchem-2177	97	14	the	the	DET
eurjchem-2177	97	15	side	side	NOUN
eurjchem-2177	97	16	chain	chain	NOUN
eurjchem-2177	97	17	amino	amino	NOUN
eurjchem-2177	97	18	group	group	NOUN
eurjchem-2177	97	19	out	out	ADP
eurjchem-2177	97	20	of	of	ADP
eurjchem-2177	97	21	the	the	DET
eurjchem-2177	97	22	three	three	NUM
eurjchem-2177	97	23	nitrogen	nitrogen	NOUN
eurjchem-2177	97	24	atoms	atom	NOUN
eurjchem-2177	97	25	available	available	ADJ
eurjchem-2177	97	26	.	.	PUNCT
eurjchem-2177	98	1	it	it	PRON
eurjchem-2177	98	2	is	be	AUX
eurjchem-2177	98	3	of	of	ADP
eurjchem-2177	98	4	interest	interest	NOUN
eurjchem-2177	98	5	to	to	PART
eurjchem-2177	98	6	know	know	VERB
eurjchem-2177	98	7	which	which	DET
eurjchem-2177	98	8	nitrogen	nitrogen	NOUN
eurjchem-2177	98	9	atom	atom	NOUN
eurjchem-2177	98	10	undergoes	undergoe	NOUN
eurjchem-2177	98	11	protonation	protonation	NOUN
eurjchem-2177	98	12	in	in	ADP
eurjchem-2177	98	13	the	the	DET
eurjchem-2177	98	14	absence	absence	NOUN
eurjchem-2177	98	15	of	of	ADP
eurjchem-2177	98	16	an	an	DET
eurjchem-2177	98	17	amino	amino	ADJ
eurjchem-2177	98	18	side	side	NOUN
eurjchem-2177	98	19	chain	chain	NOUN
eurjchem-2177	98	20	if	if	SCONJ
eurjchem-2177	98	21	acid	acid	NOUN
eurjchem-2177	98	22	salts	salt	NOUN
eurjchem-2177	98	23	are	be	AUX
eurjchem-2177	98	24	prepared	prepare	VERB
eurjchem-2177	98	25	for	for	ADP
eurjchem-2177	98	26	psma	psma	NOUN
eurjchem-2177	98	27	.	.	PUNCT
eurjchem-2177	99	1	the	the	DET
eurjchem-2177	99	2	reasons	reason	NOUN
eurjchem-2177	99	3	for	for	ADP
eurjchem-2177	99	4	it	it	PRON
eurjchem-2177	99	5	can	can	AUX
eurjchem-2177	99	6	then	then	ADV
eurjchem-2177	99	7	be	be	AUX
eurjchem-2177	99	8	analyzed	analyze	VERB
eurjchem-2177	99	9	from	from	ADP
eurjchem-2177	99	10	the	the	DET
eurjchem-2177	99	11	point	point	NOUN
eurjchem-2177	99	12	of	of	ADP
eurjchem-2177	99	13	view	view	NOUN
eurjchem-2177	99	14	of	of	ADP
eurjchem-2177	99	15	crystallography	crystallography	NOUN
eurjchem-2177	99	16	and	and	CCONJ
eurjchem-2177	99	17	computation	computation	NOUN
eurjchem-2177	99	18	in	in	ADP
eurjchem-2177	99	19	future	future	NOUN
eurjchem-2177	99	20	.	.	PUNCT
eurjchem-2177	100	1	if	if	SCONJ
eurjchem-2177	100	2	hydrated	hydrated	ADJ
eurjchem-2177	100	3	psma	psma	NOUN
eurjchem-2177	100	4	/	/	SYM
eurjchem-2177	100	5	salt	salt	NOUN
eurjchem-2177	100	6	crystals	crystal	NOUN
eurjchem-2177	100	7	could	could	AUX
eurjchem-2177	100	8	be	be	AUX
eurjchem-2177	100	9	prepared	prepare	VERB
eurjchem-2177	100	10	,	,	PUNCT
eurjchem-2177	100	11	the	the	DET
eurjchem-2177	100	12	role	role	NOUN
eurjchem-2177	100	13	of	of	ADP
eurjchem-2177	100	14	water	water	NOUN
eurjchem-2177	100	15	could	could	AUX
eurjchem-2177	100	16	be	be	AUX
eurjchem-2177	100	17	compared	compare	VERB
eurjchem-2177	100	18	and	and	CCONJ
eurjchem-2177	100	19	explored	explore	VERB
eurjchem-2177	100	20	.	.	PUNCT
eurjchem-2177	101	1	3.2	3.2	NUM
eurjchem-2177	101	2	.	.	PUNCT
eurjchem-2177	102	1	computational	computational	ADJ
eurjchem-2177	102	2	studies	study	NOUN
eurjchem-2177	102	3	of	of	ADP
eurjchem-2177	102	4	psma	psma	NOUN
eurjchem-2177	102	5	the	the	DET
eurjchem-2177	102	6	psma	psma	NOUN
eurjchem-2177	102	7	molecule	molecule	NOUN
eurjchem-2177	102	8	along	along	ADP
eurjchem-2177	102	9	with	with	ADP
eurjchem-2177	102	10	the	the	DET
eurjchem-2177	102	11	atom	atom	NOUN
eurjchem-2177	102	12	numbering	numbering	NOUN
eurjchem-2177	102	13	system	system	NOUN
eurjchem-2177	102	14	adopted	adopt	VERB
eurjchem-2177	102	15	for	for	ADP
eurjchem-2177	102	16	computation	computation	NOUN
eurjchem-2177	102	17	is	be	AUX
eurjchem-2177	102	18	shown	show	VERB
eurjchem-2177	102	19	in	in	ADP
eurjchem-2177	102	20	the	the	DET
eurjchem-2177	102	21	figure	figure	NOUN
eurjchem-2177	102	22	4	4	NUM
eurjchem-2177	102	23	.	.	PUNCT
eurjchem-2177	103	1	the	the	DET
eurjchem-2177	103	2	different	different	ADJ
eurjchem-2177	103	3	bond	bond	NOUN
eurjchem-2177	103	4	lengths	length	NOUN
eurjchem-2177	103	5	,	,	PUNCT
eurjchem-2177	103	6	bond	bond	NOUN
eurjchem-2177	103	7	angles	angle	NOUN
eurjchem-2177	103	8	,	,	PUNCT
eurjchem-2177	103	9	and	and	CCONJ
eurjchem-2177	103	10	torsion	torsion	NOUN
eurjchem-2177	103	11	angles	angle	NOUN
eurjchem-2177	103	12	theoretically	theoretically	ADV
eurjchem-2177	103	13	calculated	calculate	VERB
eurjchem-2177	103	14	for	for	ADP
eurjchem-2177	103	15	the	the	DET
eurjchem-2177	103	16	neutral	neutral	ADJ
eurjchem-2177	103	17	psma	psma	NOUN
eurjchem-2177	103	18	are	be	AUX
eurjchem-2177	103	19	compared	compare	VERB
eurjchem-2177	103	20	with	with	ADP
eurjchem-2177	103	21	the	the	DET
eurjchem-2177	103	22	corresponding	corresponding	ADJ
eurjchem-2177	103	23	values	value	NOUN
eurjchem-2177	103	24	experimentally	experimentally	ADV
eurjchem-2177	103	25	observed	observe	VERB
eurjchem-2177	103	26	by	by	ADP
eurjchem-2177	103	27	x	x	NOUN
eurjchem-2177	103	28	-	-	NOUN
eurjchem-2177	103	29	ray	ray	NOUN
eurjchem-2177	103	30	crystallography	crystallography	NOUN
eurjchem-2177	103	31	in	in	ADP
eurjchem-2177	103	32	the	the	DET
eurjchem-2177	103	33	parent	parent	NOUN
eurjchem-2177	103	34	psma	psma	NOUN
eurjchem-2177	103	35	molecule	molecule	NOUN
eurjchem-2177	103	36	.	.	PUNCT
eurjchem-2177	104	1	they	they	PRON
eurjchem-2177	104	2	are	be	AUX
eurjchem-2177	104	3	shown	show	VERB
eurjchem-2177	104	4	in	in	ADP
eurjchem-2177	104	5	the	the	DET
eurjchem-2177	104	6	table	table	NOUN
eurjchem-2177	104	7	3	3	X
eurjchem-2177	104	8	.	.	PUNCT
eurjchem-2177	105	1	in	in	ADP
eurjchem-2177	105	2	the	the	DET
eurjchem-2177	105	3	case	case	NOUN
eurjchem-2177	105	4	of	of	ADP
eurjchem-2177	105	5	psma	psma	NOUN
eurjchem-2177	105	6	also	also	ADV
eurjchem-2177	105	7	,	,	PUNCT
eurjchem-2177	105	8	the	the	DET
eurjchem-2177	105	9	calculated	calculated	ADJ
eurjchem-2177	105	10	and	and	CCONJ
eurjchem-2177	105	11	experimental	experimental	ADJ
eurjchem-2177	105	12	bond	bond	NOUN
eurjchem-2177	105	13	lengths	length	NOUN
eurjchem-2177	105	14	,	,	PUNCT
eurjchem-2177	105	15	bond	bond	NOUN
eurjchem-2177	105	16	angles	angle	NOUN
eurjchem-2177	105	17	,	,	PUNCT
eurjchem-2177	105	18	and	and	CCONJ
eurjchem-2177	105	19	torsion	torsion	NOUN
eurjchem-2177	105	20	angles	angle	NOUN
eurjchem-2177	105	21	(	(	PUNCT
eurjchem-2177	105	22	θ/180	θ/180	NOUN
eurjchem-2177	105	23	-	-	PUNCT
eurjchem-2177	105	24	θ	θ	NOUN
eurjchem-2177	105	25	)	)	PUNCT
eurjchem-2177	105	26	are	be	AUX
eurjchem-2177	105	27	found	find	VERB
eurjchem-2177	105	28	to	to	PART
eurjchem-2177	105	29	be	be	AUX
eurjchem-2177	105	30	in	in	ADP
eurjchem-2177	105	31	satisfactory	satisfactory	ADJ
eurjchem-2177	105	32	agreement	agreement	NOUN
eurjchem-2177	105	33	with	with	ADP
eurjchem-2177	105	34	one	one	NUM
eurjchem-2177	105	35	another	another	DET
eurjchem-2177	105	36	.	.	PUNCT
eurjchem-2177	106	1	3.3	3.3	NUM
eurjchem-2177	106	2	.	.	PUNCT
eurjchem-2177	107	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	107	2	surface	surface	NOUN
eurjchem-2177	107	3	analysis	analysis	NOUN
eurjchem-2177	107	4	3.3.1	3.3.1	NUM
eurjchem-2177	107	5	.	.	PUNCT
eurjchem-2177	108	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	108	2	surface	surface	PROPN
eurjchem-2177	108	3	(	(	PUNCT
eurjchem-2177	108	4	hs	hs	NOUN
eurjchem-2177	108	5	)	)	PUNCT
eurjchem-2177	108	6	mapping	mapping	NOUN
eurjchem-2177	108	7	of	of	ADP
eurjchem-2177	108	8	psma	psma	NOUN
eurjchem-2177	108	9	the	the	DET
eurjchem-2177	108	10	hf	hf	PROPN
eurjchem-2177	108	11	isosurface	isosurface	NOUN
eurjchem-2177	108	12	defined	define	VERB
eurjchem-2177	108	13	by	by	ADP
eurjchem-2177	108	14	the	the	DET
eurjchem-2177	108	15	isovalue	isovalue	NOUN
eurjchem-2177	108	16	wa(r	wa(r	NOUN
eurjchem-2177	108	17	)	)	PUNCT
eurjchem-2177	109	1	=	=	SYM
eurjchem-2177	109	2	0.5	0.5	NUM
eurjchem-2177	109	3	,	,	PUNCT
eurjchem-2177	109	4	mapped	map	VERB
eurjchem-2177	109	5	over	over	ADP
eurjchem-2177	109	6	the	the	DET
eurjchem-2177	109	7	dnorm	dnorm	NOUN
eurjchem-2177	109	8	function	function	NOUN
eurjchem-2177	109	9	of	of	ADP
eurjchem-2177	109	10	psma	psma	NOUN
eurjchem-2177	109	11	(	(	PUNCT
eurjchem-2177	109	12	-0.2061	-0.2061	VERB
eurjchem-2177	109	13	to	to	ADP
eurjchem-2177	109	14	+1.3455	+1.3455	PROPN
eurjchem-2177	109	15	krishnan	krishnan	PROPN
eurjchem-2177	109	16	et	et	PROPN
eurjchem-2177	109	17	al	al	PROPN
eurjchem-2177	109	18	.	.	PUNCT
eurjchem-2177	109	19	/	/	SYM
eurjchem-2177	109	20	european	european	PROPN
eurjchem-2177	109	21	journal	journal	PROPN
eurjchem-2177	109	22	of	of	ADP
eurjchem-2177	109	23	chemistry	chemistry	NOUN
eurjchem-2177	109	24	12	12	NUM
eurjchem-2177	109	25	(	(	PUNCT
eurjchem-2177	109	26	4	4	NUM
eurjchem-2177	109	27	)	)	PUNCT
eurjchem-2177	109	28	(	(	PUNCT
eurjchem-2177	109	29	2021	2021	NUM
eurjchem-2177	109	30	)	)	PUNCT
eurjchem-2177	109	31	419	419	NUM
eurjchem-2177	109	32	-	-	SYM
eurjchem-2177	109	33	431	431	NUM
eurjchem-2177	109	34	423	423	NUM
eurjchem-2177	109	35	2021	2021	NUM
eurjchem-2177	109	36	–	–	PUNCT
eurjchem-2177	109	37	european	european	ADJ
eurjchem-2177	109	38	journal	journal	NOUN
eurjchem-2177	109	39	of	of	ADP
eurjchem-2177	109	40	chemistry	chemistry	NOUN
eurjchem-2177	109	41	–	–	PUNCT
eurjchem-2177	109	42	cc	cc	NOUN
eurjchem-2177	109	43	by	by	ADP
eurjchem-2177	109	44	nc	nc	PROPN
eurjchem-2177	109	45	–	–	PUNCT
eurjchem-2177	109	46	doi	doi	NOUN
eurjchem-2177	109	47	:	:	PUNCT
eurjchem-2177	109	48	10.5155	10.5155	NUM
eurjchem-2177	109	49	/	/	SYM
eurjchem-2177	109	50	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	109	51	-	-	PUNCT
eurjchem-2177	109	52	431.2177	431.2177	NUM
eurjchem-2177	109	53	(	(	PUNCT
eurjchem-2177	109	54	a	a	NOUN
eurjchem-2177	109	55	)	)	PUNCT
eurjchem-2177	109	56	(	(	PUNCT
eurjchem-2177	109	57	b	b	X
eurjchem-2177	109	58	)	)	PUNCT
eurjchem-2177	109	59	(	(	PUNCT
eurjchem-2177	109	60	c	c	X
eurjchem-2177	109	61	)	)	PUNCT
eurjchem-2177	109	62	(	(	PUNCT
eurjchem-2177	109	63	d	d	X
eurjchem-2177	109	64	)	)	PUNCT
eurjchem-2177	109	65	figure	figure	NOUN
eurjchem-2177	109	66	5	5	NUM
eurjchem-2177	109	67	.	.	PUNCT
eurjchem-2177	110	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	110	2	surface	surface	PROPN
eurjchem-2177	110	3	mapped	map	VERB
eurjchem-2177	110	4	over	over	ADP
eurjchem-2177	110	5	(	(	PUNCT
eurjchem-2177	110	6	a	a	PRON
eurjchem-2177	110	7	)	)	PUNCT
eurjchem-2177	110	8	dnorm	dnorm	NOUN
eurjchem-2177	110	9	,	,	PUNCT
eurjchem-2177	110	10	(	(	PUNCT
eurjchem-2177	110	11	b	b	NOUN
eurjchem-2177	110	12	)	)	PUNCT
eurjchem-2177	110	13	shape	shape	NOUN
eurjchem-2177	110	14	index	index	NOUN
eurjchem-2177	110	15	,	,	PUNCT
eurjchem-2177	110	16	(	(	PUNCT
eurjchem-2177	110	17	c	c	X
eurjchem-2177	110	18	)	)	PUNCT
eurjchem-2177	110	19	curvedness	curvedness	ADJ
eurjchem-2177	110	20	,	,	PUNCT
eurjchem-2177	110	21	and	and	CCONJ
eurjchem-2177	110	22	(	(	PUNCT
eurjchem-2177	110	23	d	d	NOUN
eurjchem-2177	110	24	)	)	PUNCT
eurjchem-2177	110	25	fragment	fragment	ADJ
eurjchem-2177	110	26	patch	patch	NOUN
eurjchem-2177	110	27	.	.	PUNCT
eurjchem-2177	111	1	color	color	NOUN
eurjchem-2177	111	2	area	area	NOUN
eurjchem-2177	111	3	(	(	PUNCT
eurjchem-2177	111	4	å2	å2	PROPN
eurjchem-2177	111	5	)	)	PUNCT
eurjchem-2177	111	6	15.5	15.5	NUM
eurjchem-2177	111	7	28.5	28.5	NUM
eurjchem-2177	111	8	47.4	47.4	NUM
eurjchem-2177	111	9	18.4	18.4	NUM
eurjchem-2177	111	10	8.1	8.1	NUM
eurjchem-2177	111	11	30	30	NUM
eurjchem-2177	111	12	7.7	7.7	NUM
eurjchem-2177	111	13	19.7	19.7	NUM
eurjchem-2177	111	14	32.4	32.4	NUM
eurjchem-2177	111	15	1.2	1.2	NUM
eurjchem-2177	111	16	0.7	0.7	NUM
eurjchem-2177	111	17	29.3	29.3	NUM
eurjchem-2177	111	18	2.5	2.5	NUM
eurjchem-2177	111	19	31.2	31.2	NUM
eurjchem-2177	111	20	figure	figure	NOUN
eurjchem-2177	111	21	6	6	NUM
eurjchem-2177	111	22	.	.	PUNCT
eurjchem-2177	112	1	hsa	hsa	PROPN
eurjchem-2177	112	2	-	-	PUNCT
eurjchem-2177	112	3	coordination	coordination	NOUN
eurjchem-2177	112	4	environment	environment	NOUN
eurjchem-2177	112	5	with	with	ADP
eurjchem-2177	112	6	their	their	PRON
eurjchem-2177	112	7	color	color	NOUN
eurjchem-2177	112	8	patches	patch	NOUN
eurjchem-2177	112	9	.	.	PUNCT
eurjchem-2177	113	1	arbitrary	arbitrary	ADJ
eurjchem-2177	113	2	units	unit	NOUN
eurjchem-2177	113	3	;	;	PUNCT
eurjchem-2177	113	4	0	0	NUM
eurjchem-2177	113	5	<	<	X
eurjchem-2177	113	6	dnorm	dnorm	X
eurjchem-2177	113	7	<	<	X
eurjchem-2177	113	8	0	0	NUM
eurjchem-2177	113	9	indicative	indicative	ADJ
eurjchem-2177	113	10	of	of	ADP
eurjchem-2177	113	11	rvdw	rvdw	NOUN
eurjchem-2177	113	12	shorter	short	ADJ
eurjchem-2177	113	13	/	/	SYM
eurjchem-2177	113	14	longer	long	ADV
eurjchem-2177	113	15	than	than	ADP
eurjchem-2177	113	16	the	the	DET
eurjchem-2177	113	17	contact	contact	NOUN
eurjchem-2177	113	18	distance	distance	NOUN
eurjchem-2177	113	19	)	)	PUNCT
eurjchem-2177	113	20	from	from	ADP
eurjchem-2177	113	21	the	the	DET
eurjchem-2177	113	22	cif	cif	PROPN
eurjchem-2177	113	23	file	file	NOUN
eurjchem-2177	113	24	is	be	AUX
eurjchem-2177	113	25	shown	show	VERB
eurjchem-2177	113	26	in	in	ADP
eurjchem-2177	113	27	figure	figure	NOUN
eurjchem-2177	113	28	5a	5a	NUM
eurjchem-2177	113	29	holding	hold	VERB
eurjchem-2177	113	30	a	a	DET
eurjchem-2177	113	31	volume	volume	NOUN
eurjchem-2177	113	32	290.61	290.61	NUM
eurjchem-2177	113	33	å3	å3	NOUN
eurjchem-2177	113	34	and	and	CCONJ
eurjchem-2177	113	35	area	area	VERB
eurjchem-2177	113	36	272.68	272.68	NUM
eurjchem-2177	113	37	å2	å2	NOUN
eurjchem-2177	113	38	along	along	ADP
eurjchem-2177	113	39	with	with	ADP
eurjchem-2177	113	40	shape	shape	NOUN
eurjchem-2177	113	41	index	index	NOUN
eurjchem-2177	113	42	(	(	PUNCT
eurjchem-2177	113	43	-1.0	-1.0	PROPN
eurjchem-2177	113	44	to	to	ADP
eurjchem-2177	113	45	1.0	1.0	NUM
eurjchem-2177	113	46	å	å	NOUN
eurjchem-2177	113	47	)	)	PUNCT
eurjchem-2177	113	48	(	(	PUNCT
eurjchem-2177	113	49	figure	figure	NOUN
eurjchem-2177	113	50	5b	5b	NUM
eurjchem-2177	113	51	)	)	PUNCT
eurjchem-2177	113	52	;	;	PUNCT
eurjchem-2177	113	53	curvedness	curvedness	ADJ
eurjchem-2177	113	54	(	(	PUNCT
eurjchem-2177	113	55	-4.0	-4.0	VERB
eurjchem-2177	113	56	to	to	ADP
eurjchem-2177	113	57	0.4	0.4	NUM
eurjchem-2177	113	58	å	å	NOUN
eurjchem-2177	113	59	)	)	PUNCT
eurjchem-2177	113	60	(	(	PUNCT
eurjchem-2177	113	61	figure	figure	VERB
eurjchem-2177	113	62	5c	5c	NUM
eurjchem-2177	113	63	)	)	PUNCT
eurjchem-2177	113	64	and	and	CCONJ
eurjchem-2177	113	65	fragment	fragment	ADJ
eurjchem-2177	113	66	patch	patch	NOUN
eurjchem-2177	113	67	(	(	PUNCT
eurjchem-2177	113	68	0.0	0.0	NUM
eurjchem-2177	113	69	to	to	PART
eurjchem-2177	113	70	13.9	13.9	NUM
eurjchem-2177	113	71	)	)	PUNCT
eurjchem-2177	113	72	(	(	PUNCT
eurjchem-2177	113	73	figure	figure	NOUN
eurjchem-2177	113	74	5d	5d	NUM
eurjchem-2177	113	75	)	)	PUNCT
eurjchem-2177	113	76	.	.	PUNCT
eurjchem-2177	114	1	dnorm	dnorm	NOUN
eurjchem-2177	114	2	is	be	AUX
eurjchem-2177	114	3	the	the	DET
eurjchem-2177	114	4	sum	sum	NOUN
eurjchem-2177	114	5	of	of	ADP
eurjchem-2177	114	6	di	di	NOUN
eurjchem-2177	114	7	+	+	X
eurjchem-2177	114	8	de	de	X
eurjchem-2177	114	9	where	where	SCONJ
eurjchem-2177	114	10	di	di	X
eurjchem-2177	114	11	and	and	CCONJ
eurjchem-2177	114	12	de	de	X
eurjchem-2177	114	13	are	be	AUX
eurjchem-2177	114	14	the	the	DET
eurjchem-2177	114	15	normalized	normalize	VERB
eurjchem-2177	114	16	extensions	extension	NOUN
eurjchem-2177	114	17	from	from	ADP
eurjchem-2177	114	18	a	a	DET
eurjchem-2177	114	19	chosen	choose	VERB
eurjchem-2177	114	20	point	point	NOUN
eurjchem-2177	114	21	on	on	ADP
eurjchem-2177	114	22	the	the	DET
eurjchem-2177	114	23	hs	hs	PROPN
eurjchem-2177	114	24	to	to	ADP
eurjchem-2177	114	25	the	the	DET
eurjchem-2177	114	26	inside	inside	NOUN
eurjchem-2177	114	27	and	and	CCONJ
eurjchem-2177	114	28	outside	outside	ADJ
eurjchem-2177	114	29	atoms	atom	NOUN
eurjchem-2177	114	30	correspondingly	correspondingly	ADV
eurjchem-2177	114	31	.	.	PUNCT
eurjchem-2177	115	1	the	the	DET
eurjchem-2177	115	2	various	various	ADJ
eurjchem-2177	115	3	color	color	NOUN
eurjchem-2177	115	4	codes	code	NOUN
eurjchem-2177	115	5	on	on	ADP
eurjchem-2177	115	6	the	the	DET
eurjchem-2177	115	7	hs	hs	PROPN
eurjchem-2177	115	8	mapped	map	VERB
eurjchem-2177	115	9	onto	onto	ADP
eurjchem-2177	115	10	the	the	DET
eurjchem-2177	115	11	dnorm	dnorm	NOUN
eurjchem-2177	115	12	indicate	indicate	VERB
eurjchem-2177	115	13	the	the	DET
eurjchem-2177	115	14	type	type	NOUN
eurjchem-2177	115	15	of	of	ADP
eurjchem-2177	115	16	interatomic	interatomic	ADJ
eurjchem-2177	115	17	contacts	contact	NOUN
eurjchem-2177	115	18	/	/	SYM
eurjchem-2177	115	19	interactions	interaction	NOUN
eurjchem-2177	115	20	,	,	PUNCT
eurjchem-2177	115	21	such	such	ADJ
eurjchem-2177	115	22	as	as	ADP
eurjchem-2177	115	23	red	red	ADJ
eurjchem-2177	115	24	,	,	PUNCT
eurjchem-2177	115	25	blue	blue	ADJ
eurjchem-2177	115	26	,	,	PUNCT
eurjchem-2177	115	27	and	and	CCONJ
eurjchem-2177	115	28	white	white	ADJ
eurjchem-2177	115	29	colors	color	NOUN
eurjchem-2177	115	30	corresponding	correspond	VERB
eurjchem-2177	115	31	to	to	ADP
eurjchem-2177	115	32	shorter	short	ADJ
eurjchem-2177	115	33	,	,	PUNCT
eurjchem-2177	115	34	equal	equal	ADJ
eurjchem-2177	115	35	,	,	PUNCT
eurjchem-2177	115	36	and	and	CCONJ
eurjchem-2177	115	37	longer	long	ADJ
eurjchem-2177	115	38	than	than	ADP
eurjchem-2177	115	39	the	the	DET
eurjchem-2177	115	40	sum	sum	NOUN
eurjchem-2177	115	41	of	of	ADP
eurjchem-2177	115	42	the	the	DET
eurjchem-2177	115	43	van	van	PROPN
eurjchem-2177	115	44	der	der	NOUN
eurjchem-2177	115	45	waals	waal	NOUN
eurjchem-2177	115	46	radii	radii	VERB
eurjchem-2177	115	47	of	of	ADP
eurjchem-2177	115	48	interacting	interact	VERB
eurjchem-2177	115	49	/	/	SYM
eurjchem-2177	115	50	contacting	contact	VERB
eurjchem-2177	115	51	atom	atom	NOUN
eurjchem-2177	115	52	pair	pair	NOUN
eurjchem-2177	116	1	[	[	X
eurjchem-2177	116	2	39	39	NUM
eurjchem-2177	116	3	]	]	PUNCT
eurjchem-2177	116	4	.	.	PUNCT
eurjchem-2177	117	1	the	the	DET
eurjchem-2177	117	2	shape	shape	NOUN
eurjchem-2177	117	3	of	of	ADP
eurjchem-2177	117	4	the	the	DET
eurjchem-2177	117	5	molecule	molecule	NOUN
eurjchem-2177	117	6	exhibited	exhibit	VERB
eurjchem-2177	117	7	by	by	ADP
eurjchem-2177	117	8	the	the	DET
eurjchem-2177	117	9	hs	hs	PROPN
eurjchem-2177	117	10	,	,	PUNCT
eurjchem-2177	117	11	which	which	PRON
eurjchem-2177	117	12	is	be	AUX
eurjchem-2177	117	13	a	a	DET
eurjchem-2177	117	14	function	function	NOUN
eurjchem-2177	117	15	of	of	ADP
eurjchem-2177	117	16	the	the	DET
eurjchem-2177	117	17	nearby	nearby	ADJ
eurjchem-2177	117	18	crystalline	crystalline	NOUN
eurjchem-2177	117	19	environment	environment	NOUN
eurjchem-2177	117	20	of	of	ADP
eurjchem-2177	117	21	the	the	DET
eurjchem-2177	117	22	promolecule	promolecule	NOUN
eurjchem-2177	117	23	,	,	PUNCT
eurjchem-2177	117	24	is	be	AUX
eurjchem-2177	117	25	generated	generate	VERB
eurjchem-2177	117	26	with	with	ADP
eurjchem-2177	117	27	the	the	DET
eurjchem-2177	117	28	shape	shape	NOUN
eurjchem-2177	117	29	index	index	NOUN
eurjchem-2177	117	30	in	in	ADP
eurjchem-2177	117	31	the	the	DET
eurjchem-2177	117	32	interval	interval	NOUN
eurjchem-2177	117	33	from	from	ADP
eurjchem-2177	117	34	-1.0	-1.0	PROPN
eurjchem-2177	117	35	to	to	ADP
eurjchem-2177	117	36	+1.0	+1.0	PROPN
eurjchem-2177	117	37	and	and	CCONJ
eurjchem-2177	117	38	is	be	AUX
eurjchem-2177	117	39	presented	present	VERB
eurjchem-2177	117	40	in	in	ADP
eurjchem-2177	117	41	figure	figure	NOUN
eurjchem-2177	117	42	1b	1b	PROPN
eurjchem-2177	117	43	[	[	X
eurjchem-2177	117	44	40	40	NUM
eurjchem-2177	117	45	]	]	PUNCT
eurjchem-2177	117	46	.	.	PUNCT
eurjchem-2177	118	1	the	the	DET
eurjchem-2177	118	2	shape	shape	NOUN
eurjchem-2177	118	3	index	index	NOUN
eurjchem-2177	118	4	is	be	AUX
eurjchem-2177	118	5	a	a	DET
eurjchem-2177	118	6	qualitative	qualitative	ADJ
eurjchem-2177	118	7	measurement	measurement	NOUN
eurjchem-2177	118	8	of	of	ADP
eurjchem-2177	118	9	the	the	DET
eurjchem-2177	118	10	shape	shape	NOUN
eurjchem-2177	118	11	of	of	ADP
eurjchem-2177	118	12	the	the	DET
eurjchem-2177	118	13	promolecule	promolecule	NOUN
eurjchem-2177	118	14	;	;	PUNCT
eurjchem-2177	118	15	it	it	PRON
eurjchem-2177	118	16	is	be	AUX
eurjchem-2177	118	17	sensitive	sensitive	ADJ
eurjchem-2177	118	18	to	to	ADP
eurjchem-2177	118	19	even	even	ADV
eurjchem-2177	118	20	small	small	ADJ
eurjchem-2177	118	21	variations	variation	NOUN
eurjchem-2177	118	22	in	in	ADP
eurjchem-2177	118	23	the	the	DET
eurjchem-2177	118	24	shape	shape	NOUN
eurjchem-2177	118	25	.	.	PUNCT
eurjchem-2177	119	1	the	the	DET
eurjchem-2177	119	2	crest	crest	PROPN
eurjchem-2177	119	3	/	/	SYM
eurjchem-2177	119	4	convexity	convexity	NOUN
eurjchem-2177	119	5	of	of	ADP
eurjchem-2177	119	6	the	the	DET
eurjchem-2177	119	7	blue	blue	ADJ
eurjchem-2177	119	8	colored	colored	ADJ
eurjchem-2177	119	9	shape	shape	NOUN
eurjchem-2177	119	10	with	with	ADP
eurjchem-2177	119	11	negative	negative	ADJ
eurjchem-2177	119	12	shape	shape	NOUN
eurjchem-2177	119	13	index	index	NOUN
eurjchem-2177	119	14	shows	show	VERB
eurjchem-2177	119	15	the	the	DET
eurjchem-2177	119	16	h	h	NOUN
eurjchem-2177	119	17	-	-	PUNCT
eurjchem-2177	119	18	bond	bond	NOUN
eurjchem-2177	119	19	interaction	interaction	NOUN
eurjchem-2177	119	20	of	of	ADP
eurjchem-2177	119	21	donor	donor	NOUN
eurjchem-2177	119	22	type	type	NOUN
eurjchem-2177	119	23	region	region	NOUN
eurjchem-2177	119	24	(	(	PUNCT
eurjchem-2177	119	25	nh2	nh2	PROPN
eurjchem-2177	119	26	)	)	PUNCT
eurjchem-2177	119	27	,	,	PUNCT
eurjchem-2177	119	28	while	while	SCONJ
eurjchem-2177	119	29	its	its	PRON
eurjchem-2177	119	30	complementary	complementary	ADJ
eurjchem-2177	119	31	region	region	NOUN
eurjchem-2177	119	32	with	with	ADP
eurjchem-2177	119	33	a	a	DET
eurjchem-2177	119	34	red	red	ADJ
eurjchem-2177	119	35	trough	trough	NOUN
eurjchem-2177	119	36	acts	act	VERB
eurjchem-2177	119	37	as	as	ADP
eurjchem-2177	119	38	an	an	DET
eurjchem-2177	119	39	acceptor	acceptor	NOUN
eurjchem-2177	119	40	(	(	PUNCT
eurjchem-2177	119	41	>	>	X
eurjchem-2177	119	42	so2	so2	PROPN
eurjchem-2177	119	43	)	)	PUNCT
eurjchem-2177	119	44	.	.	PUNCT
eurjchem-2177	120	1	the	the	DET
eurjchem-2177	120	2	aromatic	aromatic	ADJ
eurjchem-2177	120	3	c	c	NOUN
eurjchem-2177	120	4	-	-	PUNCT
eurjchem-2177	120	5	h···π	h···π	PROPN
eurjchem-2177	120	6	stacking	stacking	NOUN
eurjchem-2177	120	7	in	in	ADP
eurjchem-2177	120	8	the	the	DET
eurjchem-2177	120	9	crystal	crystal	NOUN
eurjchem-2177	120	10	packing	packing	NOUN
eurjchem-2177	120	11	appears	appear	VERB
eurjchem-2177	120	12	as	as	ADP
eurjchem-2177	120	13	red	red	ADJ
eurjchem-2177	120	14	spot	spot	NOUN
eurjchem-2177	120	15	over	over	ADP
eurjchem-2177	120	16	benzene	benzene	NOUN
eurjchem-2177	120	17	ring	ring	NOUN
eurjchem-2177	120	18	.	.	PUNCT
eurjchem-2177	121	1	the	the	DET
eurjchem-2177	121	2	curvedness	curvedness	ADJ
eurjchem-2177	121	3	,	,	PUNCT
eurjchem-2177	121	4	c	c	PROPN
eurjchem-2177	121	5	introduced	introduce	VERB
eurjchem-2177	121	6	[	[	X
eurjchem-2177	121	7	41	41	NUM
eurjchem-2177	121	8	]	]	PUNCT
eurjchem-2177	121	9	is	be	AUX
eurjchem-2177	121	10	a	a	DET
eurjchem-2177	121	11	function	function	NOUN
eurjchem-2177	121	12	of	of	ADP
eurjchem-2177	121	13	the	the	DET
eurjchem-2177	121	14	root	root	NOUN
eurjchem-2177	121	15	mean	mean	NOUN
eurjchem-2177	121	16	square	square	ADJ
eurjchem-2177	121	17	curvature	curvature	NOUN
eurjchem-2177	121	18	of	of	ADP
eurjchem-2177	121	19	the	the	DET
eurjchem-2177	121	20	surface	surface	NOUN
eurjchem-2177	121	21	.	.	PUNCT
eurjchem-2177	122	1	low	low	ADJ
eurjchem-2177	122	2	curvedness	curvedness	ADV
eurjchem-2177	122	3	above	above	ADP
eurjchem-2177	122	4	the	the	DET
eurjchem-2177	122	5	benzene	benzene	NOUN
eurjchem-2177	122	6	moiety	moiety	NOUN
eurjchem-2177	122	7	has	have	VERB
eurjchem-2177	122	8	low	low	ADJ
eurjchem-2177	122	9	coordination	coordination	NOUN
eurjchem-2177	122	10	,	,	PUNCT
eurjchem-2177	122	11	while	while	SCONJ
eurjchem-2177	122	12	the	the	DET
eurjchem-2177	122	13	area	area	NOUN
eurjchem-2177	122	14	around	around	ADP
eurjchem-2177	122	15	-nh2	-nh2	PROPN
eurjchem-2177	122	16	and	and	CCONJ
eurjchem-2177	122	17	>	>	X
eurjchem-2177	122	18	so2	so2	PROPN
eurjchem-2177	122	19	with	with	ADP
eurjchem-2177	122	20	moderate	moderate	ADJ
eurjchem-2177	122	21	curvedness	curvedness	ADJ
eurjchem-2177	122	22	exhibits	exhibit	VERB
eurjchem-2177	122	23	higher	high	ADJ
eurjchem-2177	122	24	coordination	coordination	NOUN
eurjchem-2177	122	25	.	.	PUNCT
eurjchem-2177	123	1	this	this	PRON
eurjchem-2177	123	2	is	be	AUX
eurjchem-2177	123	3	very	very	ADV
eurjchem-2177	123	4	clear	clear	ADJ
eurjchem-2177	123	5	in	in	ADP
eurjchem-2177	123	6	the	the	DET
eurjchem-2177	123	7	differently	differently	ADV
eurjchem-2177	123	8	colored	colored	ADJ
eurjchem-2177	123	9	fragment	fragment	ADJ
eurjchem-2177	123	10	patches	patch	NOUN
eurjchem-2177	123	11	on	on	ADP
eurjchem-2177	123	12	the	the	DET
eurjchem-2177	123	13	hs	hs	PROPN
eurjchem-2177	123	14	,	,	PUNCT
eurjchem-2177	123	15	mapped	map	VERB
eurjchem-2177	123	16	between	between	ADP
eurjchem-2177	123	17	the	the	DET
eurjchem-2177	123	18	arbitrary	arbitrary	ADJ
eurjchem-2177	123	19	units	unit	NOUN
eurjchem-2177	123	20	-4.0	-4.0	PROPN
eurjchem-2177	123	21	and	and	CCONJ
eurjchem-2177	123	22	+4.0	+4.0	PUNCT
eurjchem-2177	123	23	shown	show	VERB
eurjchem-2177	123	24	in	in	ADP
eurjchem-2177	123	25	figure	figure	NOUN
eurjchem-2177	123	26	6	6	NUM
eurjchem-2177	123	27	.	.	PUNCT
eurjchem-2177	123	28	of	of	ADP
eurjchem-2177	123	29	the	the	DET
eurjchem-2177	123	30	14	14	NUM
eurjchem-2177	123	31	differently	differently	ADV
eurjchem-2177	123	32	colored	colored	ADJ
eurjchem-2177	123	33	patches	patch	NOUN
eurjchem-2177	123	34	with	with	ADP
eurjchem-2177	123	35	a	a	DET
eurjchem-2177	123	36	specifically	specifically	ADV
eurjchem-2177	123	37	defined	define	VERB
eurjchem-2177	123	38	area	area	NOUN
eurjchem-2177	123	39	,	,	PUNCT
eurjchem-2177	123	40	only	only	ADV
eurjchem-2177	123	41	5	5	NUM
eurjchem-2177	123	42	fragments	fragment	NOUN
eurjchem-2177	123	43	around	around	ADP
eurjchem-2177	123	44	the	the	DET
eurjchem-2177	123	45	hs	hs	PROPN
eurjchem-2177	123	46	are	be	AUX
eurjchem-2177	123	47	shown	show	VERB
eurjchem-2177	123	48	along	along	ADP
eurjchem-2177	123	49	with	with	ADP
eurjchem-2177	123	50	the	the	DET
eurjchem-2177	123	51	color	color	NOUN
eurjchem-2177	123	52	-	-	PUNCT
eurjchem-2177	123	53	coding	code	VERB
eurjchem-2177	123	54	scale	scale	NOUN
eurjchem-2177	123	55	.	.	PUNCT
eurjchem-2177	124	1	color	color	NOUN
eurjchem-2177	124	2	patches	patch	NOUN
eurjchem-2177	124	3	on	on	ADP
eurjchem-2177	124	4	the	the	DET
eurjchem-2177	124	5	hirshfeld	hirshfeld	PROPN
eurjchem-2177	124	6	surface	surface	NOUN
eurjchem-2177	124	7	differently	differently	ADV
eurjchem-2177	124	8	depend	depend	VERB
eurjchem-2177	124	9	on	on	ADP
eurjchem-2177	124	10	their	their	PRON
eurjchem-2177	124	11	closeness	closeness	NOUN
eurjchem-2177	124	12	to	to	ADP
eurjchem-2177	124	13	adjacent	adjacent	ADJ
eurjchem-2177	124	14	molecules	molecule	NOUN
eurjchem-2177	124	15	.	.	PUNCT
eurjchem-2177	125	1	it	it	PRON
eurjchem-2177	125	2	provides	provide	VERB
eurjchem-2177	125	3	a	a	DET
eurjchem-2177	125	4	convenient	convenient	ADJ
eurjchem-2177	125	5	way	way	NOUN
eurjchem-2177	125	6	to	to	PART
eurjchem-2177	125	7	identify	identify	VERB
eurjchem-2177	125	8	the	the	DET
eurjchem-2177	125	9	nearest	near	ADJ
eurjchem-2177	125	10	neighbor	neighbor	NOUN
eurjchem-2177	125	11	coordination	coordination	NOUN
eurjchem-2177	125	12	environment	environment	NOUN
eurjchem-2177	125	13	of	of	ADP
eurjchem-2177	125	14	a	a	DET
eurjchem-2177	125	15	molecule	molecule	NOUN
eurjchem-2177	125	16	(	(	PUNCT
eurjchem-2177	125	17	and	and	CCONJ
eurjchem-2177	125	18	hence	hence	ADV
eurjchem-2177	125	19	its	its	PRON
eurjchem-2177	125	20	“	"	PUNCT
eurjchem-2177	125	21	coordination	coordination	NOUN
eurjchem-2177	125	22	number	number	NOUN
eurjchem-2177	125	23	”	"	PUNCT
eurjchem-2177	125	24	)	)	PUNCT
eurjchem-2177	125	25	.	.	PUNCT
eurjchem-2177	126	1	the	the	DET
eurjchem-2177	126	2	atoms	atom	NOUN
eurjchem-2177	126	3	within	within	ADP
eurjchem-2177	126	4	3.8	3.8	NUM
eurjchem-2177	126	5	å	å	NOUN
eurjchem-2177	126	6	from	from	ADP
eurjchem-2177	126	7	the	the	DET
eurjchem-2177	126	8	hs	hs	PROPN
eurjchem-2177	126	9	of	of	ADP
eurjchem-2177	126	10	psma	psma	PROPN
eurjchem-2177	126	11	with	with	ADP
eurjchem-2177	126	12	their	their	PRON
eurjchem-2177	126	13	respective	respective	ADJ
eurjchem-2177	126	14	molecules	molecule	NOUN
eurjchem-2177	126	15	,	,	PUNCT
eurjchem-2177	126	16	involving	involve	VERB
eurjchem-2177	126	17	noncovalent	noncovalent	NOUN
eurjchem-2177	126	18	interactions	interaction	NOUN
eurjchem-2177	126	19	at	at	ADP
eurjchem-2177	126	20	various	various	ADJ
eurjchem-2177	126	21	levels	level	NOUN
eurjchem-2177	126	22	,	,	PUNCT
eurjchem-2177	126	23	displayed	display	VERB
eurjchem-2177	126	24	in	in	ADP
eurjchem-2177	126	25	different	different	ADJ
eurjchem-2177	126	26	color	color	NOUN
eurjchem-2177	126	27	codes	code	NOUN
eurjchem-2177	126	28	as	as	SCONJ
eurjchem-2177	126	29	mentioned	mention	VERB
eurjchem-2177	126	30	above	above	ADV
eurjchem-2177	126	31	are	be	AUX
eurjchem-2177	126	32	shown	show	VERB
eurjchem-2177	126	33	in	in	ADP
eurjchem-2177	126	34	figure	figure	NOUN
eurjchem-2177	126	35	6	6	NUM
eurjchem-2177	126	36	.	.	PUNCT
eurjchem-2177	127	1	the	the	DET
eurjchem-2177	127	2	strong	strong	ADJ
eurjchem-2177	127	3	hydrogen	hydrogen	NOUN
eurjchem-2177	127	4	bond	bond	NOUN
eurjchem-2177	127	5	interactions	interaction	NOUN
eurjchem-2177	127	6	with	with	ADP
eurjchem-2177	127	7	the	the	DET
eurjchem-2177	127	8	sum	sum	NOUN
eurjchem-2177	127	9	of	of	ADP
eurjchem-2177	127	10	the	the	DET
eurjchem-2177	127	11	van	van	PROPN
eurjchem-2177	127	12	der	der	NOUN
eurjchem-2177	127	13	waals	waal	NOUN
eurjchem-2177	127	14	radii	radii	VERB
eurjchem-2177	127	15	of	of	ADP
eurjchem-2177	127	16	participating	participate	VERB
eurjchem-2177	127	17	atoms	atom	NOUN
eurjchem-2177	127	18	greater	great	ADJ
eurjchem-2177	127	19	than	than	ADP
eurjchem-2177	127	20	the	the	DET
eurjchem-2177	127	21	hydrogen	hydrogen	NOUN
eurjchem-2177	127	22	bond	bond	NOUN
eurjchem-2177	127	23	lengths	length	NOUN
eurjchem-2177	127	24	are	be	AUX
eurjchem-2177	127	25	marked	mark	VERB
eurjchem-2177	127	26	as	as	ADP
eurjchem-2177	127	27	intense	intense	ADJ
eurjchem-2177	127	28	red	red	ADJ
eurjchem-2177	127	29	colored	color	VERB
eurjchem-2177	127	30	circles	circle	NOUN
eurjchem-2177	127	31	on	on	ADP
eurjchem-2177	127	32	the	the	DET
eurjchem-2177	127	33	hs	hs	PROPN
eurjchem-2177	127	34	,	,	PUNCT
eurjchem-2177	127	35	at	at	ADP
eurjchem-2177	127	36	>	>	X
eurjchem-2177	127	37	so2	so2	PROPN
eurjchem-2177	127	38	and	and	CCONJ
eurjchem-2177	127	39	-nh2	-nh2	PROPN
eurjchem-2177	127	40	fragments	fragment	NOUN
eurjchem-2177	127	41	of	of	ADP
eurjchem-2177	127	42	psma	psma	NOUN
eurjchem-2177	127	43	,	,	PUNCT
eurjchem-2177	127	44	where	where	SCONJ
eurjchem-2177	127	45	the	the	DET
eurjchem-2177	127	46	former	former	ADJ
eurjchem-2177	127	47	being	be	AUX
eurjchem-2177	127	48	the	the	DET
eurjchem-2177	127	49	acceptors	acceptor	NOUN
eurjchem-2177	127	50	(	(	PUNCT
eurjchem-2177	127	51	lower	low	ADJ
eurjchem-2177	127	52	red	red	ADJ
eurjchem-2177	127	53	spots	spot	NOUN
eurjchem-2177	127	54	)	)	PUNCT
eurjchem-2177	127	55	and	and	CCONJ
eurjchem-2177	127	56	the	the	DET
eurjchem-2177	127	57	latter	latter	ADJ
eurjchem-2177	127	58	being	be	AUX
eurjchem-2177	127	59	the	the	DET
eurjchem-2177	127	60	donors	donor	NOUN
eurjchem-2177	127	61	(	(	PUNCT
eurjchem-2177	127	62	upper	upper	ADJ
eurjchem-2177	127	63	red	red	ADJ
eurjchem-2177	127	64	spots	spot	NOUN
eurjchem-2177	127	65	)	)	PUNCT
eurjchem-2177	127	66	as	as	SCONJ
eurjchem-2177	127	67	shown	show	VERB
eurjchem-2177	127	68	in	in	ADP
eurjchem-2177	127	69	figure	figure	NOUN
eurjchem-2177	127	70	5a	5a	NUM
eurjchem-2177	127	71	.	.	PUNCT
eurjchem-2177	128	1	this	this	DET
eurjchem-2177	128	2	inference	inference	NOUN
eurjchem-2177	128	3	is	be	AUX
eurjchem-2177	128	4	evident	evident	ADJ
eurjchem-2177	128	5	from	from	ADP
eurjchem-2177	128	6	the	the	DET
eurjchem-2177	128	7	hydrogen	hydrogen	NOUN
eurjchem-2177	128	8	bond	bond	NOUN
eurjchem-2177	128	9	lengths	length	NOUN
eurjchem-2177	128	10	of	of	ADP
eurjchem-2177	128	11	2.337	2.337	NUM
eurjchem-2177	128	12	and	and	CCONJ
eurjchem-2177	128	13	2.340	2.340	NUM
eurjchem-2177	128	14	å	å	NOUN
eurjchem-2177	128	15	corresponding	correspond	VERB
eurjchem-2177	128	16	to	to	ADP
eurjchem-2177	128	17	the	the	DET
eurjchem-2177	128	18	hydrogen	hydrogen	NOUN
eurjchem-2177	128	19	bond	bond	NOUN
eurjchem-2177	128	20	frameworks	framework	NOUN
eurjchem-2177	128	21	s	s	PART
eurjchem-2177	128	22	-	-	PUNCT
eurjchem-2177	128	23	o2···h1b	o2···h1b	NOUN
eurjchem-2177	128	24	-	-	PUNCT
eurjchem-2177	128	25	n1	n1	ADJ
eurjchem-2177	128	26	and	and	CCONJ
eurjchem-2177	128	27	s	s	NOUN
eurjchem-2177	128	28	-	-	PUNCT
eurjchem-2177	128	29	o1···h1a	o1···h1a	ADJ
eurjchem-2177	128	30	-	-	PUNCT
eurjchem-2177	128	31	n1	n1	NOUN
eurjchem-2177	128	32	values	value	NOUN
eurjchem-2177	128	33	falling	fall	VERB
eurjchem-2177	128	34	below	below	ADP
eurjchem-2177	128	35	the	the	DET
eurjchem-2177	128	36	sum	sum	NOUN
eurjchem-2177	128	37	of	of	ADP
eurjchem-2177	128	38	o	o	PROPN
eurjchem-2177	128	39	and	and	CCONJ
eurjchem-2177	128	40	h	h	PROPN
eurjchem-2177	128	41	van	van	PROPN
eurjchem-2177	128	42	der	der	NOUN
eurjchem-2177	128	43	waals	waal	NOUN
eurjchem-2177	128	44	radii	radii	VERB
eurjchem-2177	128	45	of	of	ADP
eurjchem-2177	128	46	2.72	2.72	NUM
eurjchem-2177	128	47	å	å	NOUN
eurjchem-2177	129	1	[	[	X
eurjchem-2177	129	2	42	42	NUM
eurjchem-2177	129	3	]	]	PUNCT
eurjchem-2177	129	4	.	.	PUNCT
eurjchem-2177	130	1	the	the	DET
eurjchem-2177	130	2	bond	bond	NOUN
eurjchem-2177	130	3	angles	angle	NOUN
eurjchem-2177	130	4	subtended	subtend	VERB
eurjchem-2177	130	5	by	by	ADP
eurjchem-2177	130	6	these	these	DET
eurjchem-2177	130	7	two	two	NUM
eurjchem-2177	130	8	hydrogen	hydrogen	NOUN
eurjchem-2177	130	9	bond	bond	NOUN
eurjchem-2177	130	10	frameworks	framework	NOUN
eurjchem-2177	130	11	are	be	AUX
eurjchem-2177	130	12	the	the	DET
eurjchem-2177	130	13	same	same	ADJ
eurjchem-2177	130	14	,	,	PUNCT
eurjchem-2177	130	15	namely	namely	ADV
eurjchem-2177	130	16	148.6	148.6	NUM
eurjchem-2177	130	17	°	°	NOUN
eurjchem-2177	130	18	and	and	CCONJ
eurjchem-2177	130	19	hence	hence	ADV
eurjchem-2177	130	20	the	the	DET
eurjchem-2177	130	21	magnitude	magnitude	NOUN
eurjchem-2177	130	22	of	of	ADP
eurjchem-2177	130	23	the	the	DET
eurjchem-2177	130	24	interaction	interaction	NOUN
eurjchem-2177	130	25	would	would	AUX
eurjchem-2177	130	26	also	also	ADV
eurjchem-2177	130	27	be	be	AUX
eurjchem-2177	130	28	the	the	DET
eurjchem-2177	130	29	same	same	ADJ
eurjchem-2177	130	30	.	.	PUNCT
eurjchem-2177	131	1	additionally	additionally	ADV
eurjchem-2177	131	2	,	,	PUNCT
eurjchem-2177	131	3	o2	o2	PROPN
eurjchem-2177	131	4	involves	involve	VERB
eurjchem-2177	131	5	the	the	DET
eurjchem-2177	131	6	non	non	ADJ
eurjchem-2177	131	7	-	-	ADJ
eurjchem-2177	131	8	bonded	bonded	ADJ
eurjchem-2177	131	9	interaction	interaction	NOUN
eurjchem-2177	131	10	with	with	ADP
eurjchem-2177	131	11	h7	h7	PROPN
eurjchem-2177	131	12	-	-	PUNCT
eurjchem-2177	131	13	c7	c7	PROPN
eurjchem-2177	131	14	fragment	fragment	NOUN
eurjchem-2177	131	15	displaying	display	VERB
eurjchem-2177	131	16	the	the	DET
eurjchem-2177	131	17	h	h	NOUN
eurjchem-2177	131	18	-	-	PUNCT
eurjchem-2177	131	19	bond	bond	NOUN
eurjchem-2177	131	20	type	type	NOUN
eurjchem-2177	131	21	interaction	interaction	NOUN
eurjchem-2177	131	22	o2···h7b	o2···h7b	NOUN
eurjchem-2177	131	23	-	-	PUNCT
eurjchem-2177	131	24	c7	c7	PROPN
eurjchem-2177	131	25	with	with	ADP
eurjchem-2177	131	26	h	h	NOUN
eurjchem-2177	131	27	-	-	PUNCT
eurjchem-2177	131	28	bond	bond	NOUN
eurjchem-2177	131	29	geometrical	geometrical	ADJ
eurjchem-2177	131	30	parameters	parameter	NOUN
eurjchem-2177	131	31	2.606	2.606	NUM
eurjchem-2177	131	32	å	å	PROPN
eurjchem-2177	131	33	and	and	CCONJ
eurjchem-2177	131	34	166.7	166.7	NUM
eurjchem-2177	131	35	°	°	NOUN
eurjchem-2177	131	36	.	.	PUNCT
eurjchem-2177	132	1	despite	despite	SCONJ
eurjchem-2177	132	2	the	the	DET
eurjchem-2177	132	3	fact	fact	NOUN
eurjchem-2177	132	4	that	that	SCONJ
eurjchem-2177	132	5	geometrical	geometrical	ADJ
eurjchem-2177	132	6	factors	factor	NOUN
eurjchem-2177	132	7	favor	favor	VERB
eurjchem-2177	132	8	more	more	ADJ
eurjchem-2177	132	9	the	the	DET
eurjchem-2177	132	10	o2···h7b	o2···h7b	NOUN
eurjchem-2177	132	11	-	-	PUNCT
eurjchem-2177	132	12	c7	c7	PROPN
eurjchem-2177	132	13	,	,	PUNCT
eurjchem-2177	132	14	the	the	DET
eurjchem-2177	132	15	electronegativity	electronegativity	NOUN
eurjchem-2177	132	16	of	of	ADP
eurjchem-2177	132	17	n	n	PROPN
eurjchem-2177	132	18	in	in	ADP
eurjchem-2177	132	19	s	s	NOUN
eurjchem-2177	132	20	-	-	PUNCT
eurjchem-2177	132	21	o2···h1b	o2···h1b	NOUN
eurjchem-2177	132	22	-	-	PUNCT
eurjchem-2177	132	23	n1	n1	NOUN
eurjchem-2177	132	24	overweighs	overweigh	VERB
eurjchem-2177	132	25	the	the	DET
eurjchem-2177	132	26	former	former	ADJ
eurjchem-2177	132	27	.	.	PUNCT
eurjchem-2177	132	28	figure	figure	NOUN
eurjchem-2177	132	29	7	7	NUM
eurjchem-2177	132	30	is	be	AUX
eurjchem-2177	132	31	giving	give	VERB
eurjchem-2177	132	32	different	different	ADJ
eurjchem-2177	132	33	views	view	NOUN
eurjchem-2177	132	34	of	of	ADP
eurjchem-2177	132	35	hydrogen	hydrogen	NOUN
eurjchem-2177	132	36	bond	bond	NOUN
eurjchem-2177	132	37	interactions	interaction	NOUN
eurjchem-2177	132	38	shows	show	VERB
eurjchem-2177	132	39	the	the	DET
eurjchem-2177	132	40	pro	pro	ADJ
eurjchem-2177	132	41	-	-	ADJ
eurjchem-2177	132	42	molecule	molecule	ADJ
eurjchem-2177	132	43	’s	’s	NOUN
eurjchem-2177	132	44	>	>	X
eurjchem-2177	132	45	so2	so2	PROPN
eurjchem-2177	132	46	and	and	CCONJ
eurjchem-2177	132	47	-nh2	-nh2	PROPN
eurjchem-2177	132	48	are	be	AUX
eurjchem-2177	132	49	in	in	ADP
eurjchem-2177	132	50	close	close	ADJ
eurjchem-2177	132	51	contact	contact	NOUN
eurjchem-2177	132	52	with	with	ADP
eurjchem-2177	132	53	the	the	DET
eurjchem-2177	132	54	nearby	nearby	ADJ
eurjchem-2177	132	55	psma	psma	NOUN
eurjchem-2177	132	56	molecules	molecule	NOUN
eurjchem-2177	132	57	’	'	PUNCT
eurjchem-2177	132	58	-nh2	-nh2	PROPN
eurjchem-2177	132	59	and	and	CCONJ
eurjchem-2177	132	60	>	>	X
eurjchem-2177	132	61	so2	so2	PROPN
eurjchem-2177	132	62	moieties	moiety	NOUN
eurjchem-2177	132	63	.	.	PUNCT
eurjchem-2177	133	1	424	424	NUM
eurjchem-2177	133	2	krishnan	krishnan	PROPN
eurjchem-2177	133	3	et	et	PROPN
eurjchem-2177	133	4	al	al	PROPN
eurjchem-2177	133	5	.	.	PUNCT
eurjchem-2177	133	6	/	/	SYM
eurjchem-2177	133	7	european	european	PROPN
eurjchem-2177	133	8	journal	journal	PROPN
eurjchem-2177	133	9	of	of	ADP
eurjchem-2177	133	10	chemistry	chemistry	NOUN
eurjchem-2177	133	11	12	12	NUM
eurjchem-2177	133	12	(	(	PUNCT
eurjchem-2177	133	13	4	4	NUM
eurjchem-2177	133	14	)	)	PUNCT
eurjchem-2177	133	15	(	(	PUNCT
eurjchem-2177	133	16	2021	2021	NUM
eurjchem-2177	133	17	)	)	PUNCT
eurjchem-2177	133	18	419	419	NUM
eurjchem-2177	133	19	-	-	SYM
eurjchem-2177	133	20	431	431	NUM
eurjchem-2177	133	21	2021	2021	NUM
eurjchem-2177	133	22	–	–	PUNCT
eurjchem-2177	133	23	european	european	ADJ
eurjchem-2177	133	24	journal	journal	NOUN
eurjchem-2177	133	25	of	of	ADP
eurjchem-2177	133	26	chemistry	chemistry	NOUN
eurjchem-2177	133	27	–	–	PUNCT
eurjchem-2177	133	28	cc	cc	NOUN
eurjchem-2177	133	29	by	by	ADP
eurjchem-2177	133	30	nc	nc	PROPN
eurjchem-2177	133	31	–	–	PUNCT
eurjchem-2177	133	32	doi	doi	NOUN
eurjchem-2177	133	33	:	:	PUNCT
eurjchem-2177	133	34	10.5155	10.5155	NUM
eurjchem-2177	133	35	/	/	SYM
eurjchem-2177	133	36	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	133	37	-	-	PUNCT
eurjchem-2177	133	38	431.2177	431.2177	NUM
eurjchem-2177	133	39	(	(	PUNCT
eurjchem-2177	133	40	a	a	NOUN
eurjchem-2177	133	41	)	)	PUNCT
eurjchem-2177	133	42	(	(	PUNCT
eurjchem-2177	133	43	b	b	X
eurjchem-2177	133	44	)	)	PUNCT
eurjchem-2177	133	45	(	(	PUNCT
eurjchem-2177	133	46	c	c	X
eurjchem-2177	133	47	)	)	PUNCT
eurjchem-2177	133	48	figure	figure	NOUN
eurjchem-2177	133	49	7	7	NUM
eurjchem-2177	133	50	.	.	PUNCT
eurjchem-2177	133	51	hsa	hsa	PROPN
eurjchem-2177	133	52	-	-	PUNCT
eurjchem-2177	133	53	hydrogen	hydrogen	NOUN
eurjchem-2177	133	54	bonding	bonding	NOUN
eurjchem-2177	133	55	interactions	interaction	NOUN
eurjchem-2177	133	56	,	,	PUNCT
eurjchem-2177	133	57	(	(	PUNCT
eurjchem-2177	133	58	a	a	X
eurjchem-2177	133	59	)	)	PUNCT
eurjchem-2177	133	60	display	display	NOUN
eurjchem-2177	133	61	of	of	ADP
eurjchem-2177	133	62	all	all	DET
eurjchem-2177	133	63	interacting	interact	VERB
eurjchem-2177	133	64	molecules	molecule	NOUN
eurjchem-2177	133	65	within	within	ADP
eurjchem-2177	133	66	3.8	3.8	NUM
eurjchem-2177	133	67	å	å	NOUN
eurjchem-2177	133	68	,	,	PUNCT
eurjchem-2177	133	69	(	(	PUNCT
eurjchem-2177	133	70	b	b	NOUN
eurjchem-2177	133	71	)	)	PUNCT
eurjchem-2177	133	72	display	display	NOUN
eurjchem-2177	133	73	of	of	ADP
eurjchem-2177	133	74	strong	strong	ADJ
eurjchem-2177	133	75	h	h	NOUN
eurjchem-2177	133	76	-	-	PUNCT
eurjchem-2177	133	77	bonded	bond	VERB
eurjchem-2177	133	78	interactions	interaction	NOUN
eurjchem-2177	133	79	,	,	PUNCT
eurjchem-2177	133	80	and	and	CCONJ
eurjchem-2177	133	81	(	(	PUNCT
eurjchem-2177	133	82	c	c	NOUN
eurjchem-2177	133	83	)	)	PUNCT
eurjchem-2177	133	84	display	display	NOUN
eurjchem-2177	133	85	of	of	ADP
eurjchem-2177	133	86	hydrogen	hydrogen	NOUN
eurjchem-2177	133	87	bonded	bond	VERB
eurjchem-2177	133	88	pattern	pattern	NOUN
eurjchem-2177	133	89	.	.	PUNCT
eurjchem-2177	134	1	(	(	PUNCT
eurjchem-2177	134	2	a	a	X
eurjchem-2177	134	3	)	)	PUNCT
eurjchem-2177	134	4	(	(	PUNCT
eurjchem-2177	134	5	b	b	X
eurjchem-2177	134	6	)	)	PUNCT
eurjchem-2177	134	7	figure	figure	NOUN
eurjchem-2177	134	8	8	8	NUM
eurjchem-2177	134	9	.	.	PUNCT
eurjchem-2177	135	1	(	(	PUNCT
eurjchem-2177	135	2	a	a	X
eurjchem-2177	135	3	)	)	PUNCT
eurjchem-2177	135	4	hsa	hsa	PROPN
eurjchem-2177	135	5	-	-	PUNCT
eurjchem-2177	135	6	electron	electron	NOUN
eurjchem-2177	135	7	density	density	NOUN
eurjchem-2177	135	8	map	map	NOUN
eurjchem-2177	135	9	and	and	CCONJ
eurjchem-2177	135	10	(	(	PUNCT
eurjchem-2177	135	11	b	b	NOUN
eurjchem-2177	135	12	)	)	PUNCT
eurjchem-2177	135	13	hsa	hsa	PROPN
eurjchem-2177	135	14	-	-	ADJ
eurjchem-2177	135	15	electrostatic	electrostatic	ADJ
eurjchem-2177	135	16	potential	potential	ADJ
eurjchem-2177	135	17	map	map	NOUN
eurjchem-2177	135	18	.	.	PUNCT
eurjchem-2177	136	1	unlike	unlike	ADP
eurjchem-2177	136	2	>	>	X
eurjchem-2177	136	3	so2	so2	PROPN
eurjchem-2177	136	4	fragment	fragment	NOUN
eurjchem-2177	136	5	,	,	PUNCT
eurjchem-2177	136	6	-nh2	-nh2	PROPN
eurjchem-2177	136	7	does	do	AUX
eurjchem-2177	136	8	not	not	PART
eurjchem-2177	136	9	have	have	VERB
eurjchem-2177	136	10	a	a	DET
eurjchem-2177	136	11	fork	fork	NOUN
eurjchem-2177	136	12	-	-	PUNCT
eurjchem-2177	136	13	type	type	NOUN
eurjchem-2177	136	14	hydrogen	hydrogen	NOUN
eurjchem-2177	136	15	bond	bond	NOUN
eurjchem-2177	136	16	framework	framework	NOUN
eurjchem-2177	136	17	.	.	PUNCT
eurjchem-2177	137	1	as	as	SCONJ
eurjchem-2177	137	2	the	the	DET
eurjchem-2177	137	3	c7	c7	PROPN
eurjchem-2177	137	4	-	-	PUNCT
eurjchem-2177	137	5	h7a···c1	h7a···c1	PROPN
eurjchem-2177	137	6	interaction	interaction	NOUN
eurjchem-2177	137	7	is	be	AUX
eurjchem-2177	137	8	weak	weak	ADJ
eurjchem-2177	137	9	,	,	PUNCT
eurjchem-2177	137	10	the	the	DET
eurjchem-2177	137	11	region	region	NOUN
eurjchem-2177	137	12	around	around	ADP
eurjchem-2177	137	13	that	that	DET
eurjchem-2177	137	14	area	area	NOUN
eurjchem-2177	137	15	is	be	AUX
eurjchem-2177	137	16	white	white	ADJ
eurjchem-2177	137	17	colored	color	VERB
eurjchem-2177	137	18	in	in	ADP
eurjchem-2177	137	19	spite	spite	NOUN
eurjchem-2177	137	20	of	of	ADP
eurjchem-2177	137	21	the	the	DET
eurjchem-2177	137	22	h7a	h7a	PROPN
eurjchem-2177	137	23	…	…	SYM
eurjchem-2177	137	24	c1	c1	PROPN
eurjchem-2177	137	25	distance	distance	NOUN
eurjchem-2177	137	26	of	of	ADP
eurjchem-2177	137	27	2.759	2.759	NUM
eurjchem-2177	137	28	å	å	NOUN
eurjchem-2177	137	29	/	/	PUNCT
eurjchem-2177	137	30	being	be	AUX
eurjchem-2177	137	31	less	less	ADJ
eurjchem-2177	137	32	than	than	ADP
eurjchem-2177	137	33	the	the	DET
eurjchem-2177	137	34	sum	sum	NOUN
eurjchem-2177	137	35	of	of	ADP
eurjchem-2177	137	36	van	van	PROPN
eurjchem-2177	137	37	der	der	NOUN
eurjchem-2177	137	38	waals	waal	NOUN
eurjchem-2177	137	39	radii	radii	VERB
eurjchem-2177	137	40	of	of	ADP
eurjchem-2177	137	41	2.9	2.9	NUM
eurjchem-2177	137	42	å	å	NOUN
eurjchem-2177	137	43	,	,	PUNCT
eurjchem-2177	137	44	to	to	ADP
eurjchem-2177	137	45	the	the	DET
eurjchem-2177	137	46	extent	extent	NOUN
eurjchem-2177	137	47	of	of	ADP
eurjchem-2177	137	48	0.149	0.149	NUM
eurjchem-2177	137	49	å	å	NOUN
eurjchem-2177	137	50	.	.	PUNCT
eurjchem-2177	138	1	the	the	DET
eurjchem-2177	138	2	very	very	ADV
eurjchem-2177	138	3	weak	weak	ADJ
eurjchem-2177	138	4	interactions	interaction	NOUN
eurjchem-2177	138	5	with	with	ADP
eurjchem-2177	138	6	a	a	DET
eurjchem-2177	138	7	contact	contact	NOUN
eurjchem-2177	138	8	distance	distance	NOUN
eurjchem-2177	138	9	greater	great	ADJ
eurjchem-2177	138	10	than	than	ADP
eurjchem-2177	138	11	the	the	DET
eurjchem-2177	138	12	sum	sum	NOUN
eurjchem-2177	138	13	of	of	ADP
eurjchem-2177	138	14	the	the	DET
eurjchem-2177	138	15	van	van	PROPN
eurjchem-2177	138	16	der	der	NOUN
eurjchem-2177	138	17	waals	waal	NOUN
eurjchem-2177	138	18	radii	radii	VERB
eurjchem-2177	138	19	of	of	ADP
eurjchem-2177	138	20	participating	participate	VERB
eurjchem-2177	138	21	atoms	atom	NOUN
eurjchem-2177	138	22	are	be	AUX
eurjchem-2177	138	23	shown	show	VERB
eurjchem-2177	138	24	as	as	ADP
eurjchem-2177	138	25	blue	blue	ADJ
eurjchem-2177	138	26	regions	region	NOUN
eurjchem-2177	138	27	.	.	PUNCT
eurjchem-2177	139	1	3.3.2	3.3.2	X
eurjchem-2177	139	2	.	.	PUNCT
eurjchem-2177	139	3	electron	electron	NOUN
eurjchem-2177	139	4	density	density	NOUN
eurjchem-2177	139	5	the	the	DET
eurjchem-2177	139	6	tonto	tonto	PROPN
eurjchem-2177	139	7	incorporated	incorporate	VERB
eurjchem-2177	139	8	in	in	ADP
eurjchem-2177	139	9	crystalexplorer	crystalexplorer	NOUN
eurjchem-2177	139	10	17.5	17.5	NUM
eurjchem-2177	139	11	was	be	AUX
eurjchem-2177	139	12	invoked	invoke	VERB
eurjchem-2177	139	13	to	to	PART
eurjchem-2177	139	14	compute	compute	VERB
eurjchem-2177	139	15	the	the	DET
eurjchem-2177	139	16	wavefunction	wavefunction	NOUN
eurjchem-2177	139	17	at	at	ADP
eurjchem-2177	139	18	b3lyp/5	b3lyp/5	PROPN
eurjchem-2177	139	19	-	-	SYM
eurjchem-2177	139	20	31g(d	31g(d	PROPN
eurjchem-2177	139	21	,	,	PUNCT
eurjchem-2177	139	22	p	p	NOUN
eurjchem-2177	139	23	)	)	PUNCT
eurjchem-2177	139	24	and	and	CCONJ
eurjchem-2177	139	25	then	then	ADV
eurjchem-2177	139	26	to	to	PART
eurjchem-2177	139	27	map	map	VERB
eurjchem-2177	139	28	the	the	DET
eurjchem-2177	139	29	electron	electron	NOUN
eurjchem-2177	139	30	density	density	NOUN
eurjchem-2177	139	31	of	of	ADP
eurjchem-2177	139	32	the	the	DET
eurjchem-2177	139	33	promolecule	promolecule	NOUN
eurjchem-2177	139	34	onto	onto	ADP
eurjchem-2177	139	35	the	the	DET
eurjchem-2177	139	36	hs	hs	PROPN
eurjchem-2177	139	37	.	.	PROPN
eurjchem-2177	139	38	figure	figure	NOUN
eurjchem-2177	139	39	8a	8a	PROPN
eurjchem-2177	139	40	shows	show	VERB
eurjchem-2177	139	41	the	the	DET
eurjchem-2177	139	42	3d	3d	PROPN
eurjchem-2177	139	43	electron	electron	NOUN
eurjchem-2177	139	44	density	density	NOUN
eurjchem-2177	139	45	,	,	PUNCT
eurjchem-2177	139	46	which	which	PRON
eurjchem-2177	139	47	helps	help	VERB
eurjchem-2177	139	48	to	to	PART
eurjchem-2177	139	49	identify	identify	VERB
eurjchem-2177	139	50	the	the	DET
eurjchem-2177	139	51	donor	donor	NOUN
eurjchem-2177	139	52	and	and	CCONJ
eurjchem-2177	139	53	acceptor	acceptor	NOUN
eurjchem-2177	139	54	region	region	NOUN
eurjchem-2177	139	55	in	in	ADP
eurjchem-2177	139	56	red	red	PROPN
eurjchem-2177	139	57	.	.	PUNCT
eurjchem-2177	140	1	figure	figure	PROPN
eurjchem-2177	140	2	8b	8b	PROPN
eurjchem-2177	140	3	displays	display	VERB
eurjchem-2177	140	4	the	the	DET
eurjchem-2177	140	5	electrostatic	electrostatic	ADJ
eurjchem-2177	140	6	potential	potential	ADJ
eurjchem-2177	140	7	surface	surface	NOUN
eurjchem-2177	140	8	constructed	construct	VERB
eurjchem-2177	140	9	with	with	ADP
eurjchem-2177	140	10	the	the	DET
eurjchem-2177	140	11	wave	wave	NOUN
eurjchem-2177	140	12	function	function	NOUN
eurjchem-2177	140	13	generated	generate	VERB
eurjchem-2177	140	14	through	through	ADP
eurjchem-2177	140	15	tonto	tonto	PROPN
eurjchem-2177	140	16	at	at	ADP
eurjchem-2177	140	17	b3lyp/6	b3lyp/6	PROPN
eurjchem-2177	140	18	-	-	X
eurjchem-2177	140	19	31g(d	31g(d	PROPN
eurjchem-2177	140	20	,	,	PUNCT
eurjchem-2177	140	21	p	p	NOUN
eurjchem-2177	140	22	)	)	PUNCT
eurjchem-2177	140	23	over	over	ADP
eurjchem-2177	140	24	the	the	DET
eurjchem-2177	140	25	pro	pro	ADJ
eurjchem-2177	140	26	-	-	ADJ
eurjchem-2177	140	27	molecule	molecule	ADJ
eurjchem-2177	140	28	,	,	PUNCT
eurjchem-2177	140	29	ensuring	ensure	VERB
eurjchem-2177	140	30	the	the	DET
eurjchem-2177	140	31	intermolecular	intermolecular	ADJ
eurjchem-2177	140	32	strong	strong	ADJ
eurjchem-2177	140	33	hbond	hbond	ADJ
eurjchem-2177	140	34	interactions	interaction	NOUN
eurjchem-2177	140	35	with	with	ADP
eurjchem-2177	140	36	acceptor	acceptor	NOUN
eurjchem-2177	140	37	>	>	X
eurjchem-2177	140	38	so2	so2	PROPN
eurjchem-2177	140	39	fragment	fragment	PROPN
eurjchem-2177	140	40	(	(	PUNCT
eurjchem-2177	140	41	red	red	ADJ
eurjchem-2177	140	42	color	color	NOUN
eurjchem-2177	140	43	region	region	NOUN
eurjchem-2177	140	44	)	)	PUNCT
eurjchem-2177	140	45	and	and	CCONJ
eurjchem-2177	140	46	donor	donor	NOUN
eurjchem-2177	140	47	-nh2	-nh2	PROPN
eurjchem-2177	140	48	unit	unit	NOUN
eurjchem-2177	140	49	(	(	PUNCT
eurjchem-2177	140	50	blue	blue	ADJ
eurjchem-2177	140	51	color	color	NOUN
eurjchem-2177	140	52	region	region	NOUN
eurjchem-2177	140	53	)	)	PUNCT
eurjchem-2177	140	54	.	.	PUNCT
eurjchem-2177	141	1	3.3.3	3.3.3	NUM
eurjchem-2177	141	2	.	.	PUNCT
eurjchem-2177	141	3	electrostatic	electrostatic	ADJ
eurjchem-2177	141	4	deformation	deformation	NOUN
eurjchem-2177	141	5	density	density	NOUN
eurjchem-2177	141	6	the	the	DET
eurjchem-2177	141	7	electrostatic	electrostatic	ADJ
eurjchem-2177	141	8	deformation	deformation	NOUN
eurjchem-2177	141	9	density	density	NOUN
eurjchem-2177	141	10	map	map	NOUN
eurjchem-2177	141	11	of	of	ADP
eurjchem-2177	141	12	figure	figure	NOUN
eurjchem-2177	141	13	9	9	NUM
eurjchem-2177	141	14	shows	show	VERB
eurjchem-2177	141	15	the	the	DET
eurjchem-2177	141	16	electron	electron	NOUN
eurjchem-2177	141	17	density	density	NOUN
eurjchem-2177	141	18	about	about	ADP
eurjchem-2177	141	19	one	one	NUM
eurjchem-2177	141	20	molecule	molecule	NOUN
eurjchem-2177	141	21	of	of	ADP
eurjchem-2177	141	22	psma	psma	NOUN
eurjchem-2177	141	23	.	.	PUNCT
eurjchem-2177	142	1	the	the	DET
eurjchem-2177	142	2	deformation	deformation	NOUN
eurjchem-2177	142	3	density	density	NOUN
eurjchem-2177	142	4	represents	represent	VERB
eurjchem-2177	142	5	a	a	DET
eurjchem-2177	142	6	difference	difference	NOUN
eurjchem-2177	142	7	between	between	ADP
eurjchem-2177	142	8	the	the	DET
eurjchem-2177	142	9	total	total	ADJ
eurjchem-2177	142	10	electron	electron	NOUN
eurjchem-2177	142	11	density	density	NOUN
eurjchem-2177	142	12	of	of	ADP
eurjchem-2177	142	13	a	a	DET
eurjchem-2177	142	14	molecule	molecule	NOUN
eurjchem-2177	142	15	and	and	CCONJ
eurjchem-2177	142	16	the	the	DET
eurjchem-2177	142	17	electron	electron	NOUN
eurjchem-2177	142	18	density	density	NOUN
eurjchem-2177	142	19	of	of	ADP
eurjchem-2177	142	20	"	"	PUNCT
eurjchem-2177	142	21	neutral	neutral	ADJ
eurjchem-2177	142	22	spherical	spherical	ADJ
eurjchem-2177	142	23	unperturbed	unperturbed	ADJ
eurjchem-2177	142	24	atoms	atom	NOUN
eurjchem-2177	142	25	"	"	PUNCT
eurjchem-2177	142	26	superimposed	superimpose	VERB
eurjchem-2177	142	27	on	on	ADP
eurjchem-2177	142	28	the	the	DET
eurjchem-2177	142	29	same	same	ADJ
eurjchem-2177	142	30	molecule	molecule	NOUN
eurjchem-2177	142	31	[	[	X
eurjchem-2177	142	32	43,44	43,44	X
eurjchem-2177	142	33	]	]	X
eurjchem-2177	142	34	.	.	PUNCT
eurjchem-2177	143	1	the	the	DET
eurjchem-2177	143	2	wave	wave	NOUN
eurjchem-2177	143	3	function	function	NOUN
eurjchem-2177	143	4	calculated	calculate	VERB
eurjchem-2177	143	5	with	with	ADP
eurjchem-2177	143	6	tonto	tonto	PROPN
eurjchem-2177	143	7	ay	ay	PROPN
eurjchem-2177	143	8	b3lyp/6	b3lyp/6	PROPN
eurjchem-2177	143	9	-	-	PROPN
eurjchem-2177	143	10	31g(d	31g(d	PROPN
eurjchem-2177	143	11	,	,	PUNCT
eurjchem-2177	143	12	p	p	NOUN
eurjchem-2177	143	13	)	)	PUNCT
eurjchem-2177	143	14	reveals	reveal	VERB
eurjchem-2177	143	15	the	the	DET
eurjchem-2177	143	16	charge	charge	NOUN
eurjchem-2177	143	17	dearth	dearth	NOUN
eurjchem-2177	143	18	region	region	NOUN
eurjchem-2177	143	19	(	(	PUNCT
eurjchem-2177	143	20	in	in	ADP
eurjchem-2177	143	21	red	red	ADJ
eurjchem-2177	143	22	)	)	PUNCT
eurjchem-2177	143	23	over	over	ADP
eurjchem-2177	143	24	-nh2	-nh2	PROPN
eurjchem-2177	143	25	unit	unit	NOUN
eurjchem-2177	143	26	,	,	PUNCT
eurjchem-2177	143	27	enabling	enable	VERB
eurjchem-2177	143	28	n	n	CCONJ
eurjchem-2177	143	29	-	-	PUNCT
eurjchem-2177	143	30	h···o	h···o	PROPN
eurjchem-2177	143	31	contacts	contact	NOUN
eurjchem-2177	143	32	in	in	ADP
eurjchem-2177	143	33	the	the	DET
eurjchem-2177	143	34	crystal	crystal	NOUN
eurjchem-2177	143	35	,	,	PUNCT
eurjchem-2177	143	36	while	while	SCONJ
eurjchem-2177	143	37	the	the	DET
eurjchem-2177	143	38	charge	charge	NOUN
eurjchem-2177	143	39	excess	excess	NOUN
eurjchem-2177	143	40	(	(	PUNCT
eurjchem-2177	143	41	in	in	ADP
eurjchem-2177	143	42	blue	blue	ADJ
eurjchem-2177	143	43	)	)	PUNCT
eurjchem-2177	143	44	around	around	ADP
eurjchem-2177	143	45	>	>	X
eurjchem-2177	143	46	so2	so2	PROPN
eurjchem-2177	143	47	,	,	PUNCT
eurjchem-2177	143	48	makes	make	VERB
eurjchem-2177	143	49	o···h	o···h	NOUN
eurjchem-2177	143	50	-	-	PUNCT
eurjchem-2177	143	51	n	n	NOUN
eurjchem-2177	143	52	interaction	interaction	NOUN
eurjchem-2177	143	53	.	.	PUNCT
eurjchem-2177	144	1	these	these	DET
eurjchem-2177	144	2	interactions	interaction	NOUN
eurjchem-2177	144	3	are	be	AUX
eurjchem-2177	144	4	shown	show	VERB
eurjchem-2177	144	5	in	in	ADP
eurjchem-2177	144	6	figure	figure	NOUN
eurjchem-2177	144	7	9b	9b	NOUN
eurjchem-2177	144	8	where	where	SCONJ
eurjchem-2177	144	9	the	the	DET
eurjchem-2177	144	10	p	p	PROPN
eurjchem-2177	144	11	molecule	molecule	NOUN
eurjchem-2177	144	12	is	be	AUX
eurjchem-2177	144	13	surrounded	surround	VERB
eurjchem-2177	144	14	by	by	ADP
eurjchem-2177	144	15	nearest	near	ADJ
eurjchem-2177	144	16	six	six	NUM
eurjchem-2177	144	17	e1	e1	NOUN
eurjchem-2177	144	18	to	to	PART
eurjchem-2177	144	19	e6	e6	VERB
eurjchem-2177	144	20	molecules	molecule	NOUN
eurjchem-2177	144	21	in	in	ADP
eurjchem-2177	144	22	the	the	DET
eurjchem-2177	144	23	crystalline	crystalline	ADJ
eurjchem-2177	144	24	state	state	NOUN
eurjchem-2177	144	25	.	.	PUNCT
eurjchem-2177	145	1	krishnan	krishnan	PROPN
eurjchem-2177	145	2	et	et	PROPN
eurjchem-2177	145	3	al	al	PROPN
eurjchem-2177	145	4	.	.	PUNCT
eurjchem-2177	145	5	/	/	SYM
eurjchem-2177	145	6	european	european	PROPN
eurjchem-2177	145	7	journal	journal	PROPN
eurjchem-2177	145	8	of	of	ADP
eurjchem-2177	145	9	chemistry	chemistry	NOUN
eurjchem-2177	145	10	12	12	NUM
eurjchem-2177	145	11	(	(	PUNCT
eurjchem-2177	145	12	4	4	NUM
eurjchem-2177	145	13	)	)	PUNCT
eurjchem-2177	145	14	(	(	PUNCT
eurjchem-2177	145	15	2021	2021	NUM
eurjchem-2177	145	16	)	)	PUNCT
eurjchem-2177	145	17	419	419	NUM
eurjchem-2177	145	18	-	-	SYM
eurjchem-2177	145	19	431	431	NUM
eurjchem-2177	145	20	425	425	NUM
eurjchem-2177	145	21	2021	2021	NUM
eurjchem-2177	145	22	–	–	PUNCT
eurjchem-2177	145	23	european	european	ADJ
eurjchem-2177	145	24	journal	journal	NOUN
eurjchem-2177	145	25	of	of	ADP
eurjchem-2177	145	26	chemistry	chemistry	NOUN
eurjchem-2177	145	27	–	–	PUNCT
eurjchem-2177	145	28	cc	cc	NOUN
eurjchem-2177	145	29	by	by	ADP
eurjchem-2177	145	30	nc	nc	PROPN
eurjchem-2177	145	31	–	–	PUNCT
eurjchem-2177	145	32	doi	doi	NOUN
eurjchem-2177	145	33	:	:	PUNCT
eurjchem-2177	145	34	10.5155	10.5155	NUM
eurjchem-2177	145	35	/	/	SYM
eurjchem-2177	145	36	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	145	37	-	-	ADJ
eurjchem-2177	145	38	431.2177	431.2177	NUM
eurjchem-2177	145	39	table	table	NOUN
eurjchem-2177	145	40	4	4	NUM
eurjchem-2177	145	41	.	.	PUNCT
eurjchem-2177	146	1	the	the	DET
eurjchem-2177	146	2	breakup	breakup	ADJ
eurjchem-2177	146	3	details	detail	NOUN
eurjchem-2177	146	4	of	of	ADP
eurjchem-2177	146	5	2d	2d	PROPN
eurjchem-2177	146	6	fingerprint	fingerprint	NOUN
eurjchem-2177	146	7	area	area	NOUN
eurjchem-2177	146	8	of	of	ADP
eurjchem-2177	146	9	interaction	interaction	NOUN
eurjchem-2177	146	10	into	into	ADP
eurjchem-2177	146	11	individual	individual	ADJ
eurjchem-2177	146	12	type	type	NOUN
eurjchem-2177	146	13	(	(	PUNCT
eurjchem-2177	146	14	percentage)-for	percentage)-for	ADP
eurjchem-2177	146	15	close	close	ADJ
eurjchem-2177	146	16	contacts	contact	NOUN
eurjchem-2177	146	17	between	between	ADP
eurjchem-2177	146	18	atoms	atom	NOUN
eurjchem-2177	146	19	inside	inside	ADP
eurjchem-2177	146	20	and	and	CCONJ
eurjchem-2177	146	21	outside	outside	ADP
eurjchem-2177	146	22	the	the	DET
eurjchem-2177	146	23	hs	hs	PROPN
eurjchem-2177	146	24	.	.	PROPN
eurjchem-2177	146	25	hf	hf	PROPN
eurjchem-2177	146	26	in	in	ADP
eurjchem-2177	146	27	hf	hf	PROPN
eurjchem-2177	146	28	out	out	ADP
eurjchem-2177	146	29	c	c	PROPN
eurjchem-2177	146	30	h	h	NOUN
eurjchem-2177	147	1	n	n	ADP
eurjchem-2177	147	2	o	o	NOUN
eurjchem-2177	147	3	s	s	PART
eurjchem-2177	147	4	total	total	NOUN
eurjchem-2177	147	5	c	c	NOUN
eurjchem-2177	147	6	0.4	0.4	NUM
eurjchem-2177	147	7	8.9	8.9	NUM
eurjchem-2177	147	8	.	.	PUNCT
eurjchem-2177	147	9	.	.	PUNCT
eurjchem-2177	148	1	.	.	PUNCT
eurjchem-2177	149	1	9.3	9.3	NUM
eurjchem-2177	149	2	h	h	NOUN
eurjchem-2177	149	3	7.5	7.5	NUM
eurjchem-2177	149	4	53.7	53.7	NUM
eurjchem-2177	149	5	2.5	2.5	NUM
eurjchem-2177	149	6	11.0	11.0	NUM
eurjchem-2177	149	7	0.0	0.0	NUM
eurjchem-2177	149	8	74.8	74.8	NUM
eurjchem-2177	149	9	n	n	NOUN
eurjchem-2177	149	10	.	.	PUNCT
eurjchem-2177	150	1	2.6	2.6	NUM
eurjchem-2177	150	2	.	.	PUNCT
eurjchem-2177	150	3	.	.	PUNCT
eurjchem-2177	150	4	.	.	PUNCT
eurjchem-2177	151	1	2.6	2.6	NUM
eurjchem-2177	151	2	o	o	NOUN
eurjchem-2177	151	3	.	.	PUNCT
eurjchem-2177	152	1	13.3	13.3	NUM
eurjchem-2177	152	2	.	.	PUNCT
eurjchem-2177	152	3	.	.	PUNCT
eurjchem-2177	152	4	.	.	PUNCT
eurjchem-2177	153	1	13.3	13.3	NUM
eurjchem-2177	153	2	s	s	NOUN
eurjchem-2177	153	3	.	.	PUNCT
eurjchem-2177	154	1	0.0	0.0	NUM
eurjchem-2177	154	2	.	.	PUNCT
eurjchem-2177	154	3	.	.	PUNCT
eurjchem-2177	154	4	.	.	PUNCT
eurjchem-2177	155	1	0.0	0.0	NUM
eurjchem-2177	155	2	total	total	NOUN
eurjchem-2177	155	3	7.9	7.9	NUM
eurjchem-2177	155	4	78.5	78.5	NUM
eurjchem-2177	155	5	2.5	2.5	NUM
eurjchem-2177	155	6	11.0	11.0	NUM
eurjchem-2177	155	7	0.0	0.0	NUM
eurjchem-2177	155	8	100	100	NUM
eurjchem-2177	155	9	(	(	PUNCT
eurjchem-2177	155	10	a	a	NOUN
eurjchem-2177	155	11	)	)	PUNCT
eurjchem-2177	155	12	(	(	PUNCT
eurjchem-2177	155	13	b	b	X
eurjchem-2177	155	14	)	)	PUNCT
eurjchem-2177	155	15	(	(	PUNCT
eurjchem-2177	155	16	c	c	X
eurjchem-2177	155	17	)	)	PUNCT
eurjchem-2177	155	18	figure	figure	NOUN
eurjchem-2177	155	19	9	9	NUM
eurjchem-2177	155	20	.	.	PUNCT
eurjchem-2177	155	21	electrostatic	electrostatic	ADJ
eurjchem-2177	155	22	deformation	deformation	NOUN
eurjchem-2177	155	23	density	density	NOUN
eurjchem-2177	155	24	maps	map	NOUN
eurjchem-2177	155	25	(	(	PUNCT
eurjchem-2177	155	26	a	a	X
eurjchem-2177	155	27	)	)	PUNCT
eurjchem-2177	155	28	promolecule	promolecule	NOUN
eurjchem-2177	155	29	’s	’s	PART
eurjchem-2177	155	30	electron	electron	NOUN
eurjchem-2177	155	31	density	density	NOUN
eurjchem-2177	155	32	interaction	interaction	NOUN
eurjchem-2177	155	33	with	with	ADP
eurjchem-2177	155	34	nearby	nearby	ADJ
eurjchem-2177	155	35	molecules	molecule	NOUN
eurjchem-2177	155	36	,	,	PUNCT
eurjchem-2177	155	37	(	(	PUNCT
eurjchem-2177	155	38	b	b	X
eurjchem-2177	155	39	)	)	PUNCT
eurjchem-2177	155	40	promolecules	promolecule	NOUN
eurjchem-2177	155	41	(	(	PUNCT
eurjchem-2177	155	42	p	p	NOUN
eurjchem-2177	155	43	)	)	PUNCT
eurjchem-2177	155	44	interaction	interaction	NOUN
eurjchem-2177	155	45	with	with	ADP
eurjchem-2177	155	46	the	the	DET
eurjchem-2177	155	47	surrounding	surround	VERB
eurjchem-2177	155	48	molecules	molecule	NOUN
eurjchem-2177	155	49	(	(	PUNCT
eurjchem-2177	155	50	e1	e1	NOUN
eurjchem-2177	155	51	-	-	PUNCT
eurjchem-2177	155	52	e6	e6	NOUN
eurjchem-2177	155	53	)	)	PUNCT
eurjchem-2177	155	54	,	,	PUNCT
eurjchem-2177	155	55	and	and	CCONJ
eurjchem-2177	155	56	(	(	PUNCT
eurjchem-2177	155	57	c	c	NOUN
eurjchem-2177	155	58	)	)	PUNCT
eurjchem-2177	155	59	specific	specific	ADJ
eurjchem-2177	155	60	interaction	interaction	NOUN
eurjchem-2177	155	61	of	of	ADP
eurjchem-2177	155	62	surrounding	surround	VERB
eurjchem-2177	155	63	molecules	molecule	NOUN
eurjchem-2177	155	64	with	with	ADP
eurjchem-2177	155	65	the	the	DET
eurjchem-2177	155	66	promolecule	promolecule	NOUN
eurjchem-2177	155	67	’s	’s	PART
eurjchem-2177	155	68	electron	electron	NOUN
eurjchem-2177	155	69	density	density	NOUN
eurjchem-2177	155	70	.	.	PUNCT
eurjchem-2177	156	1	3.3.4	3.3.4	X
eurjchem-2177	156	2	.	.	PUNCT
eurjchem-2177	157	1	fingerprint	fingerprint	NOUN
eurjchem-2177	157	2	plots	plot	VERB
eurjchem-2177	157	3	the	the	DET
eurjchem-2177	157	4	complex	complex	ADJ
eurjchem-2177	157	5	three	three	NUM
eurjchem-2177	157	6	-	-	PUNCT
eurjchem-2177	157	7	dimensional	dimensional	ADJ
eurjchem-2177	157	8	intermolecular	intermolecular	ADJ
eurjchem-2177	157	9	interactions	interaction	NOUN
eurjchem-2177	157	10	in	in	ADP
eurjchem-2177	157	11	molecular	molecular	ADJ
eurjchem-2177	157	12	crystal	crystal	NOUN
eurjchem-2177	157	13	simplified	simplify	VERB
eurjchem-2177	157	14	in	in	ADP
eurjchem-2177	157	15	two	two	NUM
eurjchem-2177	157	16	-	-	PUNCT
eurjchem-2177	157	17	dimensional	dimensional	ADJ
eurjchem-2177	157	18	visual	visual	ADJ
eurjchem-2177	157	19	presentation	presentation	NOUN
eurjchem-2177	157	20	of	of	ADP
eurjchem-2177	157	21	the	the	DET
eurjchem-2177	157	22	frequency	frequency	NOUN
eurjchem-2177	157	23	of	of	ADP
eurjchem-2177	157	24	each	each	DET
eurjchem-2177	157	25	combination	combination	NOUN
eurjchem-2177	157	26	of	of	ADP
eurjchem-2177	157	27	de	de	X
eurjchem-2177	157	28	and	and	CCONJ
eurjchem-2177	157	29	di	di	NOUN
eurjchem-2177	157	30	across	across	ADP
eurjchem-2177	157	31	the	the	DET
eurjchem-2177	157	32	surface	surface	NOUN
eurjchem-2177	157	33	of	of	ADP
eurjchem-2177	157	34	a	a	DET
eurjchem-2177	157	35	molecule	molecule	NOUN
eurjchem-2177	157	36	including	include	VERB
eurjchem-2177	157	37	the	the	DET
eurjchem-2177	157	38	extent	extent	NOUN
eurjchem-2177	157	39	of	of	ADP
eurjchem-2177	157	40	interaction	interaction	NOUN
eurjchem-2177	157	41	of	of	ADP
eurjchem-2177	157	42	a	a	DET
eurjchem-2177	157	43	particular	particular	ADJ
eurjchem-2177	157	44	type	type	NOUN
eurjchem-2177	157	45	through	through	ADP
eurjchem-2177	157	46	the	the	DET
eurjchem-2177	157	47	relative	relative	ADJ
eurjchem-2177	157	48	area	area	NOUN
eurjchem-2177	157	49	obtained	obtain	VERB
eurjchem-2177	157	50	from	from	ADP
eurjchem-2177	157	51	hfs	hfs	PROPN
eurjchem-2177	157	52	is	be	AUX
eurjchem-2177	157	53	specifically	specifically	ADV
eurjchem-2177	157	54	known	know	VERB
eurjchem-2177	157	55	as	as	ADP
eurjchem-2177	157	56	‘	'	PUNCT
eurjchem-2177	157	57	fingerprint	fingerprint	NOUN
eurjchem-2177	157	58	plot	plot	NOUN
eurjchem-2177	157	59	’	'	PUNCT
eurjchem-2177	158	1	[	[	X
eurjchem-2177	158	2	45	45	NUM
eurjchem-2177	158	3	]	]	PUNCT
eurjchem-2177	158	4	.	.	PUNCT
eurjchem-2177	159	1	quantification	quantification	NOUN
eurjchem-2177	159	2	and	and	CCONJ
eurjchem-2177	159	3	segregation	segregation	NOUN
eurjchem-2177	159	4	of	of	ADP
eurjchem-2177	159	5	intermolecular	intermolecular	ADJ
eurjchem-2177	159	6	interactions	interaction	NOUN
eurjchem-2177	159	7	/	/	SYM
eurjchem-2177	159	8	contacts	contact	NOUN
eurjchem-2177	159	9	between	between	ADP
eurjchem-2177	159	10	inside	inside	ADP
eurjchem-2177	159	11	and	and	CCONJ
eurjchem-2177	159	12	outside	outside	ADP
eurjchem-2177	159	13	the	the	DET
eurjchem-2177	159	14	hfs	hfs	NOUN
eurjchem-2177	159	15	has	have	AUX
eurjchem-2177	159	16	been	be	AUX
eurjchem-2177	159	17	achieved	achieve	VERB
eurjchem-2177	159	18	through	through	ADP
eurjchem-2177	159	19	the	the	DET
eurjchem-2177	159	20	2d	2d	NUM
eurjchem-2177	159	21	plot	plot	NOUN
eurjchem-2177	159	22	generated	generate	VERB
eurjchem-2177	159	23	in	in	ADP
eurjchem-2177	159	24	terms	term	NOUN
eurjchem-2177	159	25	of	of	ADP
eurjchem-2177	159	26	de	de	X
eurjchem-2177	159	27	,	,	PUNCT
eurjchem-2177	159	28	di	di	NOUN
eurjchem-2177	159	29	pairs	pair	NOUN
eurjchem-2177	159	30	in	in	ADP
eurjchem-2177	159	31	intervals	interval	NOUN
eurjchem-2177	159	32	of	of	ADP
eurjchem-2177	159	33	0.01	0.01	NUM
eurjchem-2177	159	34	.	.	PUNCT
eurjchem-2177	160	1	the	the	DET
eurjchem-2177	160	2	total	total	ADJ
eurjchem-2177	160	3	interactions	interaction	NOUN
eurjchem-2177	160	4	in	in	ADP
eurjchem-2177	160	5	the	the	DET
eurjchem-2177	160	6	crystal	crystal	NOUN
eurjchem-2177	160	7	packing	packing	NOUN
eurjchem-2177	160	8	involving	involve	VERB
eurjchem-2177	160	9	all	all	DET
eurjchem-2177	160	10	types	type	NOUN
eurjchem-2177	160	11	of	of	ADP
eurjchem-2177	160	12	interactions	interaction	NOUN
eurjchem-2177	160	13	,	,	PUNCT
eurjchem-2177	160	14	especially	especially	ADV
eurjchem-2177	160	15	h···h	h···h	PROPN
eurjchem-2177	160	16	,	,	PUNCT
eurjchem-2177	160	17	o···h	o···h	PROPN
eurjchem-2177	160	18	,	,	PUNCT
eurjchem-2177	160	19	and	and	CCONJ
eurjchem-2177	160	20	n···h	n···h	PROPN
eurjchem-2177	160	21	contacts	contact	NOUN
eurjchem-2177	160	22	comprising	comprise	VERB
eurjchem-2177	160	23	100	100	NUM
eurjchem-2177	160	24	%	%	NOUN
eurjchem-2177	160	25	appears	appear	VERB
eurjchem-2177	160	26	in	in	ADP
eurjchem-2177	160	27	figure	figure	NOUN
eurjchem-2177	160	28	10a	10a	NOUN
eurjchem-2177	160	29	with	with	ADP
eurjchem-2177	160	30	wings	wing	NOUN
eurjchem-2177	160	31	type	type	NOUN
eurjchem-2177	160	32	areas	area	NOUN
eurjchem-2177	160	33	,	,	PUNCT
eurjchem-2177	160	34	symmetrically	symmetrically	ADV
eurjchem-2177	160	35	placed	place	VERB
eurjchem-2177	160	36	on	on	ADP
eurjchem-2177	160	37	either	either	DET
eurjchem-2177	160	38	side	side	NOUN
eurjchem-2177	160	39	of	of	ADP
eurjchem-2177	160	40	the	the	DET
eurjchem-2177	160	41	spike	spike	NOUN
eurjchem-2177	160	42	at	at	ADP
eurjchem-2177	160	43	the	the	DET
eurjchem-2177	160	44	middle	middle	NOUN
eurjchem-2177	160	45	of	of	ADP
eurjchem-2177	160	46	the	the	DET
eurjchem-2177	160	47	2d	2d	NUM
eurjchem-2177	160	48	plot	plot	NOUN
eurjchem-2177	160	49	.	.	PUNCT
eurjchem-2177	161	1	the	the	DET
eurjchem-2177	161	2	interactions	interaction	NOUN
eurjchem-2177	161	3	/	/	SYM
eurjchem-2177	161	4	contacts	contact	NOUN
eurjchem-2177	161	5	representing	represent	VERB
eurjchem-2177	161	6	h···h	h···h	PROPN
eurjchem-2177	161	7	,	,	PUNCT
eurjchem-2177	161	8	o	o	NOUN
eurjchem-2177	161	9	-	-	NOUN
eurjchem-2177	161	10	h	h	ADJ
eurjchem-2177	161	11	/	/	SYM
eurjchem-2177	161	12	h	h	NOUN
eurjchem-2177	161	13	-	-	PUNCT
eurjchem-2177	161	14	o	o	NOUN
eurjchem-2177	161	15	,	,	PUNCT
eurjchem-2177	161	16	c	c	NOUN
eurjchem-2177	161	17	-	-	PUNCT
eurjchem-2177	161	18	h	h	NOUN
eurjchem-2177	161	19	/	/	SYM
eurjchem-2177	161	20	h	h	NOUN
eurjchem-2177	161	21	-	-	PUNCT
eurjchem-2177	161	22	c	c	NOUN
eurjchem-2177	161	23	/	/	SYM
eurjchem-2177	161	24	c	c	NOUN
eurjchem-2177	161	25	-	-	PUNCT
eurjchem-2177	161	26	h	h	NOUN
eurjchem-2177	161	27	and	and	CCONJ
eurjchem-2177	161	28	n	n	CCONJ
eurjchem-2177	161	29	-	-	PUNCT
eurjchem-2177	161	30	h	h	NOUN
eurjchem-2177	161	31	/	/	SYM
eurjchem-2177	161	32	h	h	NOUN
eurjchem-2177	161	33	-	-	PUNCT
eurjchem-2177	161	34	n	n	NOUN
eurjchem-2177	161	35	as	as	ADV
eurjchem-2177	161	36	shown	show	VERB
eurjchem-2177	161	37	in	in	ADP
eurjchem-2177	161	38	figure	figure	NOUN
eurjchem-2177	161	39	10b	10b	NOUN
eurjchem-2177	161	40	,	,	PUNCT
eurjchem-2177	161	41	c	c	X
eurjchem-2177	161	42	,	,	PUNCT
eurjchem-2177	161	43	d	d	NOUN
eurjchem-2177	161	44	and	and	CCONJ
eurjchem-2177	161	45	e	e	PROPN
eurjchem-2177	161	46	include	include	VERB
eurjchem-2177	161	47	the	the	DET
eurjchem-2177	161	48	remaining	remain	VERB
eurjchem-2177	161	49	as	as	ADP
eurjchem-2177	161	50	grey	grey	ADJ
eurjchem-2177	161	51	area	area	NOUN
eurjchem-2177	161	52	.	.	PUNCT
eurjchem-2177	162	1	the	the	DET
eurjchem-2177	162	2	short	short	ADJ
eurjchem-2177	162	3	-	-	PUNCT
eurjchem-2177	162	4	distance	distance	NOUN
eurjchem-2177	162	5	h···h	h···h	NOUN
eurjchem-2177	162	6	interaction	interaction	NOUN
eurjchem-2177	162	7	has	have	VERB
eurjchem-2177	162	8	the	the	DET
eurjchem-2177	162	9	maximum	maximum	ADJ
eurjchem-2177	162	10	contribution	contribution	NOUN
eurjchem-2177	162	11	of	of	ADP
eurjchem-2177	162	12	53.7	53.7	NUM
eurjchem-2177	162	13	%	%	NOUN
eurjchem-2177	162	14	and	and	CCONJ
eurjchem-2177	162	15	occurs	occur	VERB
eurjchem-2177	162	16	along	along	ADP
eurjchem-2177	162	17	the	the	DET
eurjchem-2177	162	18	diagonal	diagonal	NOUN
eurjchem-2177	162	19	.	.	PUNCT
eurjchem-2177	163	1	the	the	DET
eurjchem-2177	163	2	intensity	intensity	NOUN
eurjchem-2177	163	3	of	of	ADP
eurjchem-2177	163	4	this	this	PRON
eurjchem-2177	163	5	is	be	AUX
eurjchem-2177	163	6	maximum	maximum	ADJ
eurjchem-2177	163	7	around	around	ADP
eurjchem-2177	163	8	de	de	X
eurjchem-2177	163	9	=	=	X
eurjchem-2177	163	10	di	di	X
eurjchem-2177	163	11	~1.05	~1.05	PUNCT
eurjchem-2177	163	12	å	å	PROPN
eurjchem-2177	163	13	,	,	PUNCT
eurjchem-2177	163	14	(	(	PUNCT
eurjchem-2177	163	15	de	de	X
eurjchem-2177	163	16	+	+	X
eurjchem-2177	163	17	di	di	X
eurjchem-2177	163	18	~2.1	~2.1	NOUN
eurjchem-2177	163	19	å	å	NOUN
eurjchem-2177	163	20	)	)	PUNCT
eurjchem-2177	163	21	figure	figure	NOUN
eurjchem-2177	163	22	10b	10b	NOUN
eurjchem-2177	163	23	with	with	ADP
eurjchem-2177	163	24	a	a	DET
eurjchem-2177	163	25	display	display	NOUN
eurjchem-2177	163	26	of	of	ADP
eurjchem-2177	163	27	blue	blue	ADJ
eurjchem-2177	163	28	colored	colored	ADJ
eurjchem-2177	163	29	sharp	sharp	ADJ
eurjchem-2177	163	30	spike	spike	NOUN
eurjchem-2177	163	31	,	,	PUNCT
eurjchem-2177	163	32	probably	probably	ADV
eurjchem-2177	163	33	largely	largely	ADV
eurjchem-2177	163	34	due	due	ADJ
eurjchem-2177	163	35	to	to	ADP
eurjchem-2177	163	36	aromatic	aromatic	ADJ
eurjchem-2177	163	37	protons	proton	NOUN
eurjchem-2177	163	38	followed	follow	VERB
eurjchem-2177	163	39	by	by	ADP
eurjchem-2177	163	40	methylene	methylene	NOUN
eurjchem-2177	163	41	and	and	CCONJ
eurjchem-2177	163	42	five	five	NUM
eurjchem-2177	163	43	membered	membere	VERB
eurjchem-2177	163	44	ring	ring	NOUN
eurjchem-2177	163	45	protons	proton	NOUN
eurjchem-2177	163	46	.	.	PUNCT
eurjchem-2177	164	1	the	the	DET
eurjchem-2177	164	2	other	other	ADJ
eurjchem-2177	164	3	interactions	interaction	NOUN
eurjchem-2177	164	4	along	along	ADP
eurjchem-2177	164	5	with	with	ADP
eurjchem-2177	164	6	their	their	PRON
eurjchem-2177	164	7	reciprocals	reciprocal	NOUN
eurjchem-2177	164	8	are	be	AUX
eurjchem-2177	164	9	segregated	segregate	VERB
eurjchem-2177	164	10	and	and	CCONJ
eurjchem-2177	164	11	displayed	display	VERB
eurjchem-2177	164	12	in	in	ADP
eurjchem-2177	164	13	figures	figure	NOUN
eurjchem-2177	164	14	10c	10c	NOUN
eurjchem-2177	164	15	,	,	PUNCT
eurjchem-2177	164	16	d	d	NOUN
eurjchem-2177	164	17	,	,	PUNCT
eurjchem-2177	164	18	and	and	CCONJ
eurjchem-2177	164	19	e.	e.	PROPN
eurjchem-2177	164	20	the	the	DET
eurjchem-2177	164	21	overall	overall	ADJ
eurjchem-2177	164	22	o···h	o···h	PROPN
eurjchem-2177	164	23	/	/	SYM
eurjchem-2177	164	24	h···o	h···o	PROPN
eurjchem-2177	164	25	interaction	interaction	NOUN
eurjchem-2177	164	26	that	that	PRON
eurjchem-2177	164	27	contributes	contribute	VERB
eurjchem-2177	164	28	to	to	ADP
eurjchem-2177	164	29	the	the	DET
eurjchem-2177	164	30	extent	extent	NOUN
eurjchem-2177	164	31	of	of	ADP
eurjchem-2177	164	32	24.3	24.3	NUM
eurjchem-2177	164	33	%	%	NOUN
eurjchem-2177	164	34	at	at	ADP
eurjchem-2177	164	35	de	de	X
eurjchem-2177	164	36	=	=	X
eurjchem-2177	164	37	di	di	X
eurjchem-2177	164	38	~1.35	~1.35	PUNCT
eurjchem-2177	164	39	å	å	X
eurjchem-2177	164	40	(	(	PUNCT
eurjchem-2177	164	41	de	de	X
eurjchem-2177	164	42	+	+	X
eurjchem-2177	164	43	di	di	X
eurjchem-2177	164	44	~2.7	~2.7	X
eurjchem-2177	164	45	å	å	X
eurjchem-2177	164	46	)	)	PUNCT
eurjchem-2177	164	47	follows	follow	VERB
eurjchem-2177	164	48	the	the	DET
eurjchem-2177	164	49	h···h	h···h	PROPN
eurjchem-2177	164	50	interaction	interaction	NOUN
eurjchem-2177	164	51	.	.	PUNCT
eurjchem-2177	165	1	the	the	DET
eurjchem-2177	165	2	next	next	ADJ
eurjchem-2177	165	3	dominating	dominating	NOUN
eurjchem-2177	165	4	contacts	contact	NOUN
eurjchem-2177	165	5	of	of	ADP
eurjchem-2177	165	6	16.4	16.4	NUM
eurjchem-2177	165	7	%	%	NOUN
eurjchem-2177	165	8	and	and	CCONJ
eurjchem-2177	165	9	5.1	5.1	NUM
eurjchem-2177	165	10	%	%	NOUN
eurjchem-2177	165	11	are	be	AUX
eurjchem-2177	165	12	due	due	ADJ
eurjchem-2177	165	13	to	to	ADP
eurjchem-2177	166	1	c···h	c···h	PROPN
eurjchem-2177	166	2	/	/	SYM
eurjchem-2177	166	3	h···c	h···c	PROPN
eurjchem-2177	166	4	(	(	PUNCT
eurjchem-2177	166	5	de	de	X
eurjchem-2177	166	6	=	=	NOUN
eurjchem-2177	166	7	di	di	X
eurjchem-2177	166	8	~1.65	~1.65	PUNCT
eurjchem-2177	166	9	å	å	X
eurjchem-2177	166	10	;	;	PUNCT
eurjchem-2177	166	11	de	de	X
eurjchem-2177	166	12	+	+	NOUN
eurjchem-2177	166	13	di	di	X
eurjchem-2177	166	14	~3.3	~3.3	SYM
eurjchem-2177	166	15	å	å	NOUN
eurjchem-2177	166	16	)	)	PUNCT
eurjchem-2177	166	17	and	and	CCONJ
eurjchem-2177	166	18	n···h	n···h	PROPN
eurjchem-2177	166	19	/	/	SYM
eurjchem-2177	166	20	h	h	NOUN
eurjchem-2177	166	21	…	…	SYM
eurjchem-2177	166	22	n	n	CCONJ
eurjchem-2177	166	23	(	(	PUNCT
eurjchem-2177	166	24	de	de	X
eurjchem-2177	166	25	=	=	NOUN
eurjchem-2177	166	26	di	di	X
eurjchem-2177	166	27	~1.55	~1.55	PUNCT
eurjchem-2177	166	28	å	å	X
eurjchem-2177	166	29	;	;	PUNCT
eurjchem-2177	166	30	de	de	X
eurjchem-2177	166	31	+	+	X
eurjchem-2177	166	32	di	di	X
eurjchem-2177	166	33	~3,1	~3,1	NUM
eurjchem-2177	166	34	å	å	PROPN
eurjchem-2177	166	35	)	)	PUNCT
eurjchem-2177	166	36	,	,	PUNCT
eurjchem-2177	166	37	respectively	respectively	ADV
eurjchem-2177	166	38	.	.	PUNCT
eurjchem-2177	166	39	except	except	SCONJ
eurjchem-2177	166	40	c···c	c···c	PROPN
eurjchem-2177	166	41	of	of	ADP
eurjchem-2177	166	42	negligibly	negligibly	ADV
eurjchem-2177	166	43	small	small	ADJ
eurjchem-2177	166	44	quantity	quantity	NOUN
eurjchem-2177	166	45	of	of	ADP
eurjchem-2177	166	46	0.3	0.3	NUM
eurjchem-2177	166	47	%	%	NOUN
eurjchem-2177	166	48	,	,	PUNCT
eurjchem-2177	166	49	no	no	DET
eurjchem-2177	166	50	other	other	ADJ
eurjchem-2177	166	51	contacts	contact	NOUN
eurjchem-2177	166	52	are	be	AUX
eurjchem-2177	166	53	observed	observe	VERB
eurjchem-2177	166	54	.	.	PUNCT
eurjchem-2177	167	1	the	the	DET
eurjchem-2177	167	2	various	various	ADJ
eurjchem-2177	167	3	possible	possible	ADJ
eurjchem-2177	167	4	combinations	combination	NOUN
eurjchem-2177	167	5	of	of	ADP
eurjchem-2177	167	6	atom	atom	NOUN
eurjchem-2177	167	7	-	-	PUNCT
eurjchem-2177	167	8	pair	pair	NOUN
eurjchem-2177	167	9	interactions	interaction	NOUN
eurjchem-2177	167	10	and	and	CCONJ
eurjchem-2177	167	11	the	the	DET
eurjchem-2177	167	12	individual	individual	ADJ
eurjchem-2177	167	13	contributions	contribution	NOUN
eurjchem-2177	167	14	to	to	ADP
eurjchem-2177	167	15	the	the	DET
eurjchem-2177	167	16	overall	overall	ADJ
eurjchem-2177	167	17	interaction	interaction	NOUN
eurjchem-2177	167	18	are	be	AUX
eurjchem-2177	167	19	shown	show	VERB
eurjchem-2177	167	20	in	in	ADP
eurjchem-2177	167	21	the	the	DET
eurjchem-2177	167	22	interaction	interaction	NOUN
eurjchem-2177	167	23	-	-	PUNCT
eurjchem-2177	167	24	matrix	matrix	NOUN
eurjchem-2177	167	25	table	table	NOUN
eurjchem-2177	167	26	4	4	NUM
eurjchem-2177	167	27	.	.	PUNCT
eurjchem-2177	168	1	it	it	PRON
eurjchem-2177	168	2	is	be	AUX
eurjchem-2177	168	3	clearly	clearly	ADV
eurjchem-2177	168	4	evident	evident	ADJ
eurjchem-2177	168	5	that	that	SCONJ
eurjchem-2177	168	6	short	short	ADJ
eurjchem-2177	168	7	interatomic	interatomic	ADJ
eurjchem-2177	168	8	h	h	NOUN
eurjchem-2177	168	9	…	…	SYM
eurjchem-2177	168	10	h	h	NOUN
eurjchem-2177	168	11	interactions	interaction	NOUN
eurjchem-2177	168	12	(	(	PUNCT
eurjchem-2177	168	13	53.7	53.7	NUM
eurjchem-2177	168	14	%	%	NOUN
eurjchem-2177	168	15	)	)	PUNCT
eurjchem-2177	168	16	with	with	ADP
eurjchem-2177	168	17	intense	intense	ADJ
eurjchem-2177	168	18	scattering	scattering	NOUN
eurjchem-2177	168	19	is	be	AUX
eurjchem-2177	168	20	the	the	DET
eurjchem-2177	168	21	major	major	ADJ
eurjchem-2177	168	22	contributor	contributor	NOUN
eurjchem-2177	168	23	to	to	ADP
eurjchem-2177	168	24	the	the	DET
eurjchem-2177	168	25	crystal	crystal	NOUN
eurjchem-2177	168	26	packing	packing	NOUN
eurjchem-2177	168	27	.	.	PUNCT
eurjchem-2177	169	1	interestingly	interestingly	ADV
eurjchem-2177	169	2	the	the	DET
eurjchem-2177	169	3	symmetric	symmetric	ADJ
eurjchem-2177	169	4	or	or	CCONJ
eurjchem-2177	169	5	slightly	slightly	ADV
eurjchem-2177	169	6	asymmetric	asymmetric	ADJ
eurjchem-2177	169	7	distribution	distribution	NOUN
eurjchem-2177	169	8	of	of	ADP
eurjchem-2177	169	9	bins	bin	NOUN
eurjchem-2177	169	10	of	of	ADP
eurjchem-2177	169	11	x···y	x···y	PROPN
eurjchem-2177	169	12	/	/	SYM
eurjchem-2177	169	13	y···x	y···x	PROPN
eurjchem-2177	169	14	interactions	interaction	NOUN
eurjchem-2177	169	15	,	,	PUNCT
eurjchem-2177	169	16	over	over	ADP
eurjchem-2177	169	17	the	the	DET
eurjchem-2177	169	18	hsf	hsf	NOUN
eurjchem-2177	169	19	can	can	AUX
eurjchem-2177	169	20	be	be	AUX
eurjchem-2177	169	21	found	find	VERB
eurjchem-2177	169	22	by	by	ADP
eurjchem-2177	169	23	inspecting	inspect	VERB
eurjchem-2177	169	24	the	the	DET
eurjchem-2177	169	25	off	off	ADJ
eurjchem-2177	169	26	-	-	PUNCT
eurjchem-2177	169	27	diagonal	diagonal	ADJ
eurjchem-2177	169	28	elements	element	NOUN
eurjchem-2177	169	29	in	in	ADP
eurjchem-2177	169	30	green	green	ADJ
eurjchem-2177	169	31	color	color	NOUN
eurjchem-2177	169	32	(	(	PUNCT
eurjchem-2177	169	33	x···x	x···x	PROPN
eurjchem-2177	169	34	)	)	PUNCT
eurjchem-2177	169	35	in	in	ADP
eurjchem-2177	169	36	the	the	DET
eurjchem-2177	169	37	table	table	NOUN
eurjchem-2177	169	38	4	4	NUM
eurjchem-2177	169	39	shown	show	VERB
eurjchem-2177	169	40	as	as	ADP
eurjchem-2177	169	41	couple	couple	NOUN
eurjchem-2177	169	42	of	of	ADP
eurjchem-2177	169	43	spikes	spike	NOUN
eurjchem-2177	169	44	with	with	ADP
eurjchem-2177	169	45	the	the	DET
eurjchem-2177	169	46	tips	tip	NOUN
eurjchem-2177	169	47	at	at	ADP
eurjchem-2177	169	48	de	de	X
eurjchem-2177	169	49	+	+	X
eurjchem-2177	169	50	di	di	X
eurjchem-2177	169	51	~2.7	~2.7	X
eurjchem-2177	169	52	å	å	NOUN
eurjchem-2177	169	53	.	.	PUNCT
eurjchem-2177	170	1	thus	thus	ADV
eurjchem-2177	170	2	,	,	PUNCT
eurjchem-2177	170	3	for	for	ADP
eurjchem-2177	170	4	the	the	DET
eurjchem-2177	170	5	packing	packing	NOUN
eurjchem-2177	170	6	pattern	pattern	NOUN
eurjchem-2177	170	7	of	of	ADP
eurjchem-2177	170	8	the	the	DET
eurjchem-2177	170	9	crystal	crystal	NOUN
eurjchem-2177	170	10	structure	structure	NOUN
eurjchem-2177	170	11	,	,	PUNCT
eurjchem-2177	170	12	the	the	DET
eurjchem-2177	170	13	major	major	ADJ
eurjchem-2177	170	14	contribution	contribution	NOUN
eurjchem-2177	170	15	is	be	AUX
eurjchem-2177	170	16	from	from	ADP
eurjchem-2177	170	17	h···h	h···h	PROPN
eurjchem-2177	170	18	followed	follow	VERB
eurjchem-2177	170	19	by	by	ADP
eurjchem-2177	170	20	o···h	o···h	PROPN
eurjchem-2177	170	21	/	/	SYM
eurjchem-2177	170	22	h···o	h···o	PROPN
eurjchem-2177	170	23	,	,	PUNCT
eurjchem-2177	170	24	c···/h···c	c···/h···c	PROPN
eurjchem-2177	170	25	and	and	CCONJ
eurjchem-2177	170	26	n···h	n···h	PROPN
eurjchem-2177	170	27	/	/	SYM
eurjchem-2177	170	28	h···n	h···n	NOUN
eurjchem-2177	170	29	interactions	interaction	NOUN
eurjchem-2177	170	30	and	and	CCONJ
eurjchem-2177	170	31	these	these	DET
eurjchem-2177	170	32	contacts	contact	NOUN
eurjchem-2177	170	33	have	have	AUX
eurjchem-2177	170	34	been	be	AUX
eurjchem-2177	170	35	meticulously	meticulously	ADV
eurjchem-2177	170	36	taken	take	VERB
eurjchem-2177	170	37	into	into	ADP
eurjchem-2177	170	38	account	account	NOUN
eurjchem-2177	170	39	to	to	PART
eurjchem-2177	170	40	construct	construct	VERB
eurjchem-2177	170	41	the	the	DET
eurjchem-2177	170	42	threedimensional	threedimensional	ADJ
eurjchem-2177	170	43	crystal	crystal	NOUN
eurjchem-2177	170	44	packing	packing	NOUN
eurjchem-2177	170	45	arrangement	arrangement	NOUN
eurjchem-2177	170	46	shown	show	VERB
eurjchem-2177	170	47	in	in	ADP
eurjchem-2177	170	48	figure	figure	NOUN
eurjchem-2177	170	49	11	11	NUM
eurjchem-2177	170	50	.	.	PUNCT
eurjchem-2177	171	1	3.3.5	3.3.5	X
eurjchem-2177	171	2	.	.	PUNCT
eurjchem-2177	171	3	interaction	interaction	NOUN
eurjchem-2177	171	4	energies	energy	NOUN
eurjchem-2177	171	5	and	and	CCONJ
eurjchem-2177	171	6	energy	energy	NOUN
eurjchem-2177	171	7	framework	framework	NOUN
eurjchem-2177	171	8	in	in	ADP
eurjchem-2177	171	9	crystal	crystal	PROPN
eurjchem-2177	171	10	engineering	engineering	NOUN
eurjchem-2177	171	11	,	,	PUNCT
eurjchem-2177	171	12	an	an	DET
eurjchem-2177	171	13	understanding	understanding	NOUN
eurjchem-2177	171	14	of	of	ADP
eurjchem-2177	171	15	intermolecular	intermolecular	ADJ
eurjchem-2177	171	16	interaction	interaction	NOUN
eurjchem-2177	171	17	energies	energy	NOUN
eurjchem-2177	171	18	is	be	AUX
eurjchem-2177	171	19	essential	essential	ADJ
eurjchem-2177	171	20	for	for	ADP
eurjchem-2177	171	21	the	the	DET
eurjchem-2177	171	22	design	design	NOUN
eurjchem-2177	171	23	of	of	ADP
eurjchem-2177	171	24	new	new	ADJ
eurjchem-2177	171	25	crystalline	crystalline	NOUN
eurjchem-2177	171	26	solids	solid	NOUN
eurjchem-2177	171	27	with	with	ADP
eurjchem-2177	171	28	desired	desire	VERB
eurjchem-2177	171	29	physicochemical	physicochemical	ADJ
eurjchem-2177	171	30	properties	property	NOUN
eurjchem-2177	171	31	[	[	X
eurjchem-2177	171	32	4648	4648	NUM
eurjchem-2177	171	33	]	]	PUNCT
eurjchem-2177	171	34	.	.	PUNCT
eurjchem-2177	172	1	in	in	ADP
eurjchem-2177	172	2	the	the	DET
eurjchem-2177	172	3	crystalline	crystalline	NOUN
eurjchem-2177	172	4	state	state	NOUN
eurjchem-2177	172	5	containing	contain	VERB
eurjchem-2177	172	6	the	the	DET
eurjchem-2177	172	7	three	three	NUM
eurjchem-2177	172	8	-	-	PUNCT
eurjchem-2177	172	9	dimensional	dimensional	ADJ
eurjchem-2177	172	10	regular	regular	ADJ
eurjchem-2177	172	11	patterns	pattern	NOUN
eurjchem-2177	172	12	of	of	ADP
eurjchem-2177	172	13	molecules	molecule	NOUN
eurjchem-2177	172	14	,	,	PUNCT
eurjchem-2177	172	15	each	each	DET
eurjchem-2177	172	16	molecule	molecule	NOUN
eurjchem-2177	172	17	is	be	AUX
eurjchem-2177	172	18	systematically	systematically	ADV
eurjchem-2177	172	19	surrounded	surround	VERB
eurjchem-2177	172	20	by	by	ADP
eurjchem-2177	172	21	nearby	nearby	ADJ
eurjchem-2177	172	22	molecules	molecule	NOUN
eurjchem-2177	172	23	,	,	PUNCT
eurjchem-2177	172	24	giving	give	VERB
eurjchem-2177	172	25	rise	rise	NOUN
eurjchem-2177	172	26	to	to	PART
eurjchem-2177	172	27	resultant	resultant	VERB
eurjchem-2177	172	28	stabilizing	stabilize	VERB
eurjchem-2177	172	29	interactions	interaction	NOUN
eurjchem-2177	172	30	between	between	ADP
eurjchem-2177	172	31	a	a	DET
eurjchem-2177	172	32	pair	pair	NOUN
eurjchem-2177	172	33	of	of	ADP
eurjchem-2177	172	34	molecules	molecule	NOUN
eurjchem-2177	172	35	along	along	ADP
eurjchem-2177	172	36	with	with	ADP
eurjchem-2177	172	37	minimized	minimized	ADJ
eurjchem-2177	172	38	repulsive	repulsive	ADJ
eurjchem-2177	172	39	interactions	interaction	NOUN
eurjchem-2177	172	40	,	,	PUNCT
eurjchem-2177	172	41	and	and	CCONJ
eurjchem-2177	172	42	such	such	ADJ
eurjchem-2177	172	43	interactions	interaction	NOUN
eurjchem-2177	172	44	may	may	AUX
eurjchem-2177	172	45	be	be	AUX
eurjchem-2177	172	46	considered	consider	VERB
eurjchem-2177	172	47	to	to	PART
eurjchem-2177	172	48	act	act	VERB
eurjchem-2177	172	49	between	between	ADP
eurjchem-2177	172	50	the	the	DET
eurjchem-2177	172	51	centroids	centroid	NOUN
eurjchem-2177	172	52	(	(	PUNCT
eurjchem-2177	172	53	based	base	VERB
eurjchem-2177	172	54	only	only	ADV
eurjchem-2177	172	55	on	on	ADP
eurjchem-2177	172	56	the	the	DET
eurjchem-2177	172	57	426	426	NUM
eurjchem-2177	172	58	krishnan	krishnan	PROPN
eurjchem-2177	172	59	et	et	PROPN
eurjchem-2177	172	60	al	al	PROPN
eurjchem-2177	172	61	.	.	PUNCT
eurjchem-2177	172	62	/	/	SYM
eurjchem-2177	172	63	european	european	PROPN
eurjchem-2177	172	64	journal	journal	PROPN
eurjchem-2177	172	65	of	of	ADP
eurjchem-2177	172	66	chemistry	chemistry	NOUN
eurjchem-2177	172	67	12	12	NUM
eurjchem-2177	172	68	(	(	PUNCT
eurjchem-2177	172	69	4	4	NUM
eurjchem-2177	172	70	)	)	PUNCT
eurjchem-2177	172	71	(	(	PUNCT
eurjchem-2177	172	72	2021	2021	NUM
eurjchem-2177	172	73	)	)	PUNCT
eurjchem-2177	172	74	419	419	NUM
eurjchem-2177	172	75	-	-	SYM
eurjchem-2177	172	76	431	431	NUM
eurjchem-2177	172	77	2021	2021	NUM
eurjchem-2177	172	78	–	–	PUNCT
eurjchem-2177	172	79	european	european	ADJ
eurjchem-2177	172	80	journal	journal	NOUN
eurjchem-2177	172	81	of	of	ADP
eurjchem-2177	172	82	chemistry	chemistry	NOUN
eurjchem-2177	172	83	–	–	PUNCT
eurjchem-2177	172	84	cc	cc	NOUN
eurjchem-2177	172	85	by	by	ADP
eurjchem-2177	172	86	nc	nc	PROPN
eurjchem-2177	172	87	–	–	PUNCT
eurjchem-2177	172	88	doi	doi	NOUN
eurjchem-2177	172	89	:	:	PUNCT
eurjchem-2177	172	90	10.5155	10.5155	NUM
eurjchem-2177	172	91	/	/	SYM
eurjchem-2177	173	1	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	173	2	-	-	PUNCT
eurjchem-2177	173	3	431.2177	431.2177	NUM
eurjchem-2177	173	4	(	(	PUNCT
eurjchem-2177	173	5	a	a	NOUN
eurjchem-2177	173	6	)	)	PUNCT
eurjchem-2177	173	7	(	(	PUNCT
eurjchem-2177	173	8	b	b	X
eurjchem-2177	173	9	)	)	PUNCT
eurjchem-2177	173	10	(	(	PUNCT
eurjchem-2177	173	11	c	c	X
eurjchem-2177	173	12	)	)	PUNCT
eurjchem-2177	173	13	(	(	PUNCT
eurjchem-2177	173	14	d	d	X
eurjchem-2177	173	15	)	)	PUNCT
eurjchem-2177	173	16	(	(	PUNCT
eurjchem-2177	173	17	e	e	NOUN
eurjchem-2177	173	18	)	)	PUNCT
eurjchem-2177	173	19	figure	figure	NOUN
eurjchem-2177	173	20	10	10	NUM
eurjchem-2177	173	21	.	.	PUNCT
eurjchem-2177	174	1	two	two	NUM
eurjchem-2177	174	2	-	-	PUNCT
eurjchem-2177	174	3	dimensional	dimensional	ADJ
eurjchem-2177	174	4	finger	finger	NOUN
eurjchem-2177	174	5	print	print	NOUN
eurjchem-2177	174	6	plots	plot	NOUN
eurjchem-2177	174	7	of	of	ADP
eurjchem-2177	174	8	psma	psma	NOUN
eurjchem-2177	174	9	(	(	PUNCT
eurjchem-2177	174	10	a	a	X
eurjchem-2177	174	11	)	)	PUNCT
eurjchem-2177	174	12	all	all	DET
eurjchem-2177	174	13	contacts	contact	NOUN
eurjchem-2177	174	14	,	,	PUNCT
eurjchem-2177	174	15	(	(	PUNCT
eurjchem-2177	174	16	b	b	X
eurjchem-2177	174	17	)	)	PUNCT
eurjchem-2177	174	18	h	h	NOUN
eurjchem-2177	174	19	-	-	PUNCT
eurjchem-2177	174	20	h	h	NOUN
eurjchem-2177	174	21	,	,	PUNCT
eurjchem-2177	174	22	(	(	PUNCT
eurjchem-2177	174	23	c	c	NOUN
eurjchem-2177	174	24	)	)	PUNCT
eurjchem-2177	174	25	h	h	NOUN
eurjchem-2177	174	26	-	-	PUNCT
eurjchem-2177	174	27	o	o	NOUN
eurjchem-2177	174	28	/	/	SYM
eurjchem-2177	174	29	o	o	NOUN
eurjchem-2177	174	30	-	-	NOUN
eurjchem-2177	174	31	h	h	NOUN
eurjchem-2177	174	32	,	,	PUNCT
eurjchem-2177	174	33	(	(	PUNCT
eurjchem-2177	174	34	d	d	X
eurjchem-2177	174	35	)	)	PUNCT
eurjchem-2177	174	36	c	c	NOUN
eurjchem-2177	174	37	-	-	PUNCT
eurjchem-2177	174	38	h	h	NOUN
eurjchem-2177	174	39	/	/	SYM
eurjchem-2177	174	40	h	h	NOUN
eurjchem-2177	174	41	-	-	PUNCT
eurjchem-2177	174	42	c	c	NOUN
eurjchem-2177	174	43	,	,	PUNCT
eurjchem-2177	174	44	and	and	CCONJ
eurjchem-2177	174	45	(	(	PUNCT
eurjchem-2177	174	46	e	e	NOUN
eurjchem-2177	174	47	)	)	PUNCT
eurjchem-2177	174	48	n	n	CCONJ
eurjchem-2177	174	49	-	-	PUNCT
eurjchem-2177	174	50	h	h	NOUN
eurjchem-2177	174	51	/	/	SYM
eurjchem-2177	174	52	h	h	NOUN
eurjchem-2177	174	53	-	-	PUNCT
eurjchem-2177	174	54	n.	n.	ADJ
eurjchem-2177	174	55	figure	figure	NOUN
eurjchem-2177	174	56	11	11	NUM
eurjchem-2177	174	57	.	.	PUNCT
eurjchem-2177	175	1	the	the	DET
eurjchem-2177	175	2	three	three	NUM
eurjchem-2177	175	3	-	-	PUNCT
eurjchem-2177	175	4	dimensional	dimensional	ADJ
eurjchem-2177	175	5	crystal	crystal	NOUN
eurjchem-2177	175	6	packing	packing	NOUN
eurjchem-2177	175	7	arrangement	arrangement	NOUN
eurjchem-2177	175	8	.	.	PUNCT
eurjchem-2177	176	1	coordinates	coordinate	NOUN
eurjchem-2177	176	2	of	of	ADP
eurjchem-2177	176	3	all	all	DET
eurjchem-2177	176	4	atoms	atom	NOUN
eurjchem-2177	176	5	and	and	CCONJ
eurjchem-2177	176	6	not	not	PART
eurjchem-2177	176	7	centres	centre	NOUN
eurjchem-2177	176	8	of	of	ADP
eurjchem-2177	176	9	mass	mass	NOUN
eurjchem-2177	176	10	)	)	PUNCT
eurjchem-2177	176	11	of	of	ADP
eurjchem-2177	176	12	the	the	DET
eurjchem-2177	176	13	participating	participate	VERB
eurjchem-2177	176	14	molecules	molecule	NOUN
eurjchem-2177	176	15	.	.	PUNCT
eurjchem-2177	177	1	the	the	DET
eurjchem-2177	177	2	total	total	ADJ
eurjchem-2177	177	3	interaction	interaction	NOUN
eurjchem-2177	177	4	energy	energy	NOUN
eurjchem-2177	177	5	is	be	AUX
eurjchem-2177	177	6	generally	generally	ADV
eurjchem-2177	177	7	expressed	express	VERB
eurjchem-2177	177	8	in	in	ADP
eurjchem-2177	177	9	terms	term	NOUN
eurjchem-2177	177	10	of	of	ADP
eurjchem-2177	177	11	four	four	NUM
eurjchem-2177	177	12	key	key	ADJ
eurjchem-2177	177	13	components	component	NOUN
eurjchem-2177	177	14	:	:	PUNCT
eurjchem-2177	177	15	electrostatic	electrostatic	ADJ
eurjchem-2177	177	16	,	,	PUNCT
eurjchem-2177	177	17	polarization	polarization	NOUN
eurjchem-2177	177	18	,	,	PUNCT
eurjchem-2177	177	19	dispersion	dispersion	NOUN
eurjchem-2177	177	20	,	,	PUNCT
eurjchem-2177	177	21	and	and	CCONJ
eurjchem-2177	177	22	exchange	exchange	NOUN
eurjchem-2177	177	23	-	-	PUNCT
eurjchem-2177	177	24	repulsion	repulsion	NOUN
eurjchem-2177	177	25	:	:	PUNCT
eurjchem-2177	177	26	etot	etot	VERB
eurjchem-2177	178	1	=	=	VERB
eurjchem-2177	178	2	keleeele	keleeele	PROPN
eurjchem-2177	178	3	+	+	CCONJ
eurjchem-2177	178	4	kpol	kpol	NOUN
eurjchem-2177	178	5	epol	epol	NOUN
eurjchem-2177	178	6	+	+	CCONJ
eurjchem-2177	178	7	kdis	kdis	PROPN
eurjchem-2177	178	8	edis	edis	PROPN
eurjchem-2177	178	9	+	+	CCONJ
eurjchem-2177	178	10	krep	krep	PROPN
eurjchem-2177	178	11	erep	erep	NOUN
eurjchem-2177	178	12	(	(	PUNCT
eurjchem-2177	178	13	2	2	X
eurjchem-2177	178	14	)	)	PUNCT
eurjchem-2177	178	15	the	the	DET
eurjchem-2177	178	16	etot	etot	NOUN
eurjchem-2177	178	17	is	be	AUX
eurjchem-2177	178	18	evaluated	evaluate	VERB
eurjchem-2177	178	19	through	through	ADP
eurjchem-2177	178	20	ce	ce	PROPN
eurjchem-2177	178	21	-	-	PUNCT
eurjchem-2177	178	22	b3lyp/6	b3lyp/6	NOUN
eurjchem-2177	178	23	-	-	NOUN
eurjchem-2177	178	24	31g(d	31g(d	PROPN
eurjchem-2177	178	25	,	,	PUNCT
eurjchem-2177	178	26	p	p	NOUN
eurjchem-2177	178	27	)	)	PUNCT
eurjchem-2177	178	28	implemented	implement	VERB
eurjchem-2177	178	29	in	in	ADP
eurjchem-2177	178	30	crystalexplorer	crystalexplorer	NOUN
eurjchem-2177	178	31	17.5	17.5	NUM
eurjchem-2177	178	32	,	,	PUNCT
eurjchem-2177	178	33	by	by	ADP
eurjchem-2177	178	34	computing	compute	VERB
eurjchem-2177	178	35	the	the	DET
eurjchem-2177	178	36	individual	individual	ADJ
eurjchem-2177	178	37	components	component	NOUN
eurjchem-2177	178	38	using	use	VERB
eurjchem-2177	178	39	the	the	DET
eurjchem-2177	178	40	monomer	monomer	NOUN
eurjchem-2177	178	41	wave	wave	NOUN
eurjchem-2177	178	42	functions	function	NOUN
eurjchem-2177	178	43	that	that	PRON
eurjchem-2177	178	44	have	have	AUX
eurjchem-2177	178	45	been	be	AUX
eurjchem-2177	178	46	appropriately	appropriately	ADV
eurjchem-2177	178	47	scaled	scale	VERB
eurjchem-2177	178	48	(	(	PUNCT
eurjchem-2177	178	49	kele	kele	PROPN
eurjchem-2177	178	50	=	=	SYM
eurjchem-2177	178	51	1.057	1.057	NUM
eurjchem-2177	178	52	,	,	PUNCT
eurjchem-2177	178	53	kpol	kpol	NOUN
eurjchem-2177	178	54	=	=	PROPN
eurjchem-2177	178	55	0.740	0.740	NUM
eurjchem-2177	178	56	,	,	PUNCT
eurjchem-2177	178	57	kdis	kdis	PROPN
eurjchem-2177	178	58	=	=	PUNCT
eurjchem-2177	178	59	0.871	0.871	NUM
eurjchem-2177	178	60	and	and	CCONJ
eurjchem-2177	178	61	krep	krep	PROPN
eurjchem-2177	178	62	=	=	PROPN
eurjchem-2177	178	63	0.618	0.618	NUM
eurjchem-2177	178	64	)	)	PUNCT
eurjchem-2177	178	65	to	to	PART
eurjchem-2177	178	66	reproduce	reproduce	VERB
eurjchem-2177	178	67	the	the	DET
eurjchem-2177	178	68	counterpoise	counterpoise	NOUN
eurjchem-2177	178	69	-	-	PUNCT
eurjchem-2177	178	70	corrected	correct	VERB
eurjchem-2177	178	71	energies	energy	NOUN
eurjchem-2177	178	72	b3lyp	b3lyp	NOUN
eurjchem-2177	178	73	-	-	PUNCT
eurjchem-2177	178	74	d2/6	d2/6	ADJ
eurjchem-2177	178	75	-	-	PUNCT
eurjchem-2177	178	76	31g(d	31g(d	NOUN
eurjchem-2177	178	77	,	,	PUNCT
eurjchem-2177	178	78	p	p	NOUN
eurjchem-2177	178	79	)	)	PUNCT
eurjchem-2177	178	80	with	with	ADP
eurjchem-2177	178	81	a	a	DET
eurjchem-2177	178	82	small	small	ADJ
eurjchem-2177	178	83	mean	mean	ADJ
eurjchem-2177	178	84	absolute	absolute	ADJ
eurjchem-2177	178	85	deviation	deviation	NOUN
eurjchem-2177	178	86	of	of	ADP
eurjchem-2177	178	87	2.4	2.4	NUM
eurjchem-2177	178	88	kj/	kj/	NOUN
eurjchem-2177	178	89	mol	mol	ADP
eurjchem-2177	179	1	[	[	X
eurjchem-2177	179	2	33,46	33,46	NUM
eurjchem-2177	179	3	]	]	X
eurjchem-2177	179	4	.	.	PUNCT
eurjchem-2177	180	1	for	for	ADP
eurjchem-2177	180	2	this	this	PRON
eurjchem-2177	180	3	,	,	PUNCT
eurjchem-2177	180	4	the	the	DET
eurjchem-2177	180	5	reference	reference	NOUN
eurjchem-2177	180	6	psma	psma	VERB
eurjchem-2177	180	7	molecule	molecule	NOUN
eurjchem-2177	180	8	from	from	ADP
eurjchem-2177	180	9	the	the	DET
eurjchem-2177	180	10	cif	cif	PROPN
eurjchem-2177	180	11	file	file	NOUN
eurjchem-2177	180	12	was	be	AUX
eurjchem-2177	180	13	first	first	ADV
eurjchem-2177	180	14	created	create	VERB
eurjchem-2177	180	15	followed	follow	VERB
eurjchem-2177	180	16	by	by	ADP
eurjchem-2177	180	17	the	the	DET
eurjchem-2177	180	18	creation	creation	NOUN
eurjchem-2177	180	19	and	and	CCONJ
eurjchem-2177	180	20	fragment	fragment	ADJ
eurjchem-2177	180	21	completion	completion	NOUN
eurjchem-2177	180	22	of	of	ADP
eurjchem-2177	180	23	a	a	DET
eurjchem-2177	180	24	cluster	cluster	NOUN
eurjchem-2177	180	25	holding	hold	VERB
eurjchem-2177	180	26	13	13	NUM
eurjchem-2177	180	27	psma	psma	NOUN
eurjchem-2177	180	28	molecules	molecule	NOUN
eurjchem-2177	180	29	around	around	ADP
eurjchem-2177	180	30	it	it	PRON
eurjchem-2177	180	31	within	within	ADP
eurjchem-2177	180	32	3.8	3.8	NUM
eurjchem-2177	180	33	å	å	NOUN
eurjchem-2177	180	34	.	.	PUNCT
eurjchem-2177	181	1	the	the	DET
eurjchem-2177	181	2	holistic	holistic	ADJ
eurjchem-2177	181	3	picture	picture	NOUN
eurjchem-2177	181	4	of	of	ADP
eurjchem-2177	181	5	the	the	DET
eurjchem-2177	181	6	cluster	cluster	NOUN
eurjchem-2177	181	7	reveals	reveal	VERB
eurjchem-2177	181	8	the	the	DET
eurjchem-2177	181	9	linear	linear	ADJ
eurjchem-2177	181	10	disposition	disposition	NOUN
eurjchem-2177	181	11	of	of	ADP
eurjchem-2177	181	12	the	the	DET
eurjchem-2177	181	13	psma	psma	NOUN
eurjchem-2177	181	14	molecules	molecule	NOUN
eurjchem-2177	181	15	shown	show	VERB
eurjchem-2177	181	16	in	in	ADP
eurjchem-2177	181	17	figure	figure	NOUN
eurjchem-2177	181	18	12	12	NUM
eurjchem-2177	181	19	.	.	PUNCT
eurjchem-2177	182	1	after	after	SCONJ
eurjchem-2177	182	2	the	the	DET
eurjchem-2177	182	3	appropriate	appropriate	ADJ
eurjchem-2177	182	4	keywords	keyword	NOUN
eurjchem-2177	182	5	have	have	AUX
eurjchem-2177	182	6	been	be	AUX
eurjchem-2177	182	7	selected	select	VERB
eurjchem-2177	182	8	,	,	PUNCT
eurjchem-2177	182	9	the	the	DET
eurjchem-2177	182	10	interaction	interaction	NOUN
eurjchem-2177	182	11	energies	energy	NOUN
eurjchem-2177	182	12	between	between	ADP
eurjchem-2177	182	13	the	the	DET
eurjchem-2177	182	14	centroids	centroid	NOUN
eurjchem-2177	182	15	of	of	ADP
eurjchem-2177	182	16	molecular	molecular	ADJ
eurjchem-2177	182	17	pairs	pair	NOUN
eurjchem-2177	182	18	having	have	VERB
eurjchem-2177	182	19	the	the	DET
eurjchem-2177	182	20	reference	reference	NOUN
eurjchem-2177	182	21	at	at	ADP
eurjchem-2177	182	22	the	the	DET
eurjchem-2177	182	23	centre	centre	NOUN
eurjchem-2177	182	24	within	within	ADP
eurjchem-2177	182	25	the	the	DET
eurjchem-2177	182	26	cluster	cluster	NOUN
eurjchem-2177	182	27	have	have	AUX
eurjchem-2177	182	28	been	be	AUX
eurjchem-2177	182	29	computed	compute	VERB
eurjchem-2177	182	30	with	with	ADP
eurjchem-2177	182	31	the	the	DET
eurjchem-2177	182	32	computed	computed	ADJ
eurjchem-2177	182	33	wave	wave	NOUN
eurjchem-2177	182	34	functions	function	NOUN
eurjchem-2177	182	35	.	.	PUNCT
eurjchem-2177	183	1	the	the	DET
eurjchem-2177	183	2	various	various	ADJ
eurjchem-2177	183	3	interaction	interaction	NOUN
eurjchem-2177	183	4	energies	energy	NOUN
eurjchem-2177	183	5	(	(	PUNCT
eurjchem-2177	183	6	etot	etot	VERB
eurjchem-2177	183	7	)	)	PUNCT
eurjchem-2177	183	8	of	of	ADP
eurjchem-2177	183	9	the	the	DET
eurjchem-2177	183	10	reference	reference	NOUN
eurjchem-2177	183	11	molecule	molecule	NOUN
eurjchem-2177	183	12	with	with	ADP
eurjchem-2177	183	13	the	the	DET
eurjchem-2177	183	14	specific	specific	ADJ
eurjchem-2177	183	15	nearby	nearby	ADJ
eurjchem-2177	183	16	molecule(s	molecule(s	NOUN
eurjchem-2177	183	17	)	)	PUNCT
eurjchem-2177	183	18	with	with	ADP
eurjchem-2177	183	19	breakup	breakup	NOUN
eurjchem-2177	183	20	details	detail	NOUN
eurjchem-2177	183	21	(	(	PUNCT
eurjchem-2177	183	22	unscaled	unscaled	ADJ
eurjchem-2177	183	23	)	)	PUNCT
eurjchem-2177	183	24	into	into	ADP
eurjchem-2177	183	25	electrostatic	electrostatic	ADJ
eurjchem-2177	183	26	,	,	PUNCT
eurjchem-2177	183	27	polarization	polarization	NOUN
eurjchem-2177	183	28	,	,	PUNCT
eurjchem-2177	183	29	dispersion	dispersion	NOUN
eurjchem-2177	183	30	and	and	CCONJ
eurjchem-2177	183	31	exchange	exchange	NOUN
eurjchem-2177	183	32	repulsion	repulsion	NOUN
eurjchem-2177	183	33	,	,	PUNCT
eurjchem-2177	183	34	(	(	PUNCT
eurjchem-2177	183	35	eele	eele	PROPN
eurjchem-2177	183	36	,	,	PUNCT
eurjchem-2177	183	37	epol	epol	PROPN
eurjchem-2177	183	38	,	,	PUNCT
eurjchem-2177	183	39	edis	edis	PROPN
eurjchem-2177	183	40	and	and	CCONJ
eurjchem-2177	183	41	erep	erep	NOUN
eurjchem-2177	183	42	)	)	PUNCT
eurjchem-2177	183	43	seem	seem	VERB
eurjchem-2177	183	44	to	to	PART
eurjchem-2177	183	45	be	be	AUX
eurjchem-2177	183	46	the	the	DET
eurjchem-2177	183	47	critical	critical	ADJ
eurjchem-2177	183	48	controlling	control	VERB
eurjchem-2177	183	49	factors	factor	NOUN
eurjchem-2177	183	50	in	in	ADP
eurjchem-2177	183	51	crystal	crystal	NOUN
eurjchem-2177	183	52	packing	packing	NOUN
eurjchem-2177	183	53	and	and	CCONJ
eurjchem-2177	183	54	are	be	AUX
eurjchem-2177	183	55	shown	show	VERB
eurjchem-2177	183	56	in	in	ADP
eurjchem-2177	183	57	the	the	DET
eurjchem-2177	183	58	following	follow	VERB
eurjchem-2177	183	59	table	table	NOUN
eurjchem-2177	183	60	5	5	NUM
eurjchem-2177	183	61	.	.	PUNCT
eurjchem-2177	183	62	krishnan	krishnan	PROPN
eurjchem-2177	183	63	et	et	PROPN
eurjchem-2177	183	64	al	al	PROPN
eurjchem-2177	183	65	.	.	PUNCT
eurjchem-2177	183	66	/	/	SYM
eurjchem-2177	183	67	european	european	PROPN
eurjchem-2177	183	68	journal	journal	PROPN
eurjchem-2177	183	69	of	of	ADP
eurjchem-2177	183	70	chemistry	chemistry	NOUN
eurjchem-2177	183	71	12	12	NUM
eurjchem-2177	183	72	(	(	PUNCT
eurjchem-2177	183	73	4	4	NUM
eurjchem-2177	183	74	)	)	PUNCT
eurjchem-2177	183	75	(	(	PUNCT
eurjchem-2177	183	76	2021	2021	NUM
eurjchem-2177	183	77	)	)	PUNCT
eurjchem-2177	183	78	419	419	NUM
eurjchem-2177	183	79	-	-	SYM
eurjchem-2177	183	80	431	431	NUM
eurjchem-2177	183	81	427	427	NUM
eurjchem-2177	183	82	2021	2021	NUM
eurjchem-2177	183	83	–	–	PUNCT
eurjchem-2177	183	84	european	european	ADJ
eurjchem-2177	183	85	journal	journal	NOUN
eurjchem-2177	183	86	of	of	ADP
eurjchem-2177	183	87	chemistry	chemistry	NOUN
eurjchem-2177	183	88	–	–	PUNCT
eurjchem-2177	183	89	cc	cc	NOUN
eurjchem-2177	183	90	by	by	ADP
eurjchem-2177	183	91	nc	nc	PROPN
eurjchem-2177	183	92	–	–	PUNCT
eurjchem-2177	183	93	doi	doi	NOUN
eurjchem-2177	183	94	:	:	PUNCT
eurjchem-2177	183	95	10.5155	10.5155	NUM
eurjchem-2177	183	96	/	/	SYM
eurjchem-2177	183	97	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	183	98	-	-	PUNCT
eurjchem-2177	183	99	431.2177	431.2177	NUM
eurjchem-2177	183	100	table	table	NOUN
eurjchem-2177	183	101	5	5	NUM
eurjchem-2177	183	102	.	.	PUNCT
eurjchem-2177	184	1	the	the	DET
eurjchem-2177	184	2	interaction	interaction	NOUN
eurjchem-2177	184	3	energies	energy	NOUN
eurjchem-2177	184	4	(	(	PUNCT
eurjchem-2177	184	5	kj	kj	PROPN
eurjchem-2177	184	6	/	/	SYM
eurjchem-2177	184	7	mol	mol	NOUN
eurjchem-2177	184	8	)	)	PUNCT
eurjchem-2177	184	9	of	of	ADP
eurjchem-2177	184	10	the	the	DET
eurjchem-2177	184	11	reference	reference	NOUN
eurjchem-2177	184	12	(	(	PUNCT
eurjchem-2177	184	13	r	r	NOUN
eurjchem-2177	184	14	)	)	PUNCT
eurjchem-2177	184	15	with	with	ADP
eurjchem-2177	184	16	the	the	DET
eurjchem-2177	184	17	surrounding	surround	VERB
eurjchem-2177	184	18	molecules	molecule	NOUN
eurjchem-2177	184	19	(	(	PUNCT
eurjchem-2177	184	20	e1	e1	NOUN
eurjchem-2177	184	21	to	to	PART
eurjchem-2177	184	22	e13	e13	VERB
eurjchem-2177	184	23	)	)	PUNCT
eurjchem-2177	184	24	within	within	ADP
eurjchem-2177	184	25	3.8	3.8	NUM
eurjchem-2177	184	26	å	å	NOUN
eurjchem-2177	184	27	from	from	ADP
eurjchem-2177	184	28	psma	psma	NOUN
eurjchem-2177	184	29	r	r	NOUN
eurjchem-2177	184	30	is	be	AUX
eurjchem-2177	184	31	the	the	DET
eurjchem-2177	184	32	distance	distance	NOUN
eurjchem-2177	184	33	between	between	ADP
eurjchem-2177	184	34	the	the	DET
eurjchem-2177	184	35	molecular	molecular	ADJ
eurjchem-2177	184	36	centroids	centroid	NOUN
eurjchem-2177	184	37	(	(	PUNCT
eurjchem-2177	184	38	mean	mean	ADJ
eurjchem-2177	184	39	atomic	atomic	ADJ
eurjchem-2177	184	40	position	position	NOUN
eurjchem-2177	184	41	)	)	PUNCT
eurjchem-2177	184	42	in	in	ADP
eurjchem-2177	184	43	å	å	PROPN
eurjchem-2177	184	44	.	.	PUNCT
eurjchem-2177	185	1	color	color	NOUN
eurjchem-2177	185	2	n	n	PROPN
eurjchem-2177	185	3	symmetry	symmetry	NOUN
eurjchem-2177	185	4	operation	operation	NOUN
eurjchem-2177	185	5	r	r	NOUN
eurjchem-2177	185	6	eele	eele	PROPN
eurjchem-2177	185	7	epo	epo	PROPN
eurjchem-2177	185	8	edis	edis	PROPN
eurjchem-2177	185	9	erep	erep	PROPN
eurjchem-2177	185	10	etot	etot	VERB
eurjchem-2177	185	11	1	1	NUM
eurjchem-2177	185	12	-x	-x	X
eurjchem-2177	185	13	,	,	PUNCT
eurjchem-2177	185	14	-y	-y	PROPN
eurjchem-2177	185	15	,	,	PUNCT
eurjchem-2177	185	16	-z	-z	PROPN
eurjchem-2177	185	17	12.35	12.35	NUM
eurjchem-2177	185	18	0.5	0.5	NUM
eurjchem-2177	185	19	-0.5	-0.5	NOUN
eurjchem-2177	185	20	-11.8	-11.8	PROPN
eurjchem-2177	185	21	7.7	7.7	NUM
eurjchem-2177	185	22	-5.4	-5.4	PROPN
eurjchem-2177	185	23	2	2	NUM
eurjchem-2177	185	24	x+1/2	x+1/2	PROPN
eurjchem-2177	185	25	,	,	PUNCT
eurjchem-2177	185	26	-y+1/2	-y+1/2	PROPN
eurjchem-2177	185	27	,	,	PUNCT
eurjchem-2177	185	28	z+1/2	z+1/2	PROPN
eurjchem-2177	185	29	8.44	8.44	NUM
eurjchem-2177	185	30	-6.1	-6.1	PROPN
eurjchem-2177	185	31	-1.2	-1.2	NOUN
eurjchem-2177	185	32	-2.9	-2.9	PROPN
eurjchem-2177	185	33	0.1	0.1	NUM
eurjchem-2177	185	34	-9.8	-9.8	PROPN
eurjchem-2177	185	35	2	2	NUM
eurjchem-2177	185	36	x	x	NOUN
eurjchem-2177	185	37	,	,	PUNCT
eurjchem-2177	185	38	y	y	PROPN
eurjchem-2177	185	39	,	,	PUNCT
eurjchem-2177	185	40	z	z	NOUN
eurjchem-2177	185	41	13.74	13.74	NUM
eurjchem-2177	185	42	1.2	1.2	NUM
eurjchem-2177	185	43	-0.4	-0.4	NOUN
eurjchem-2177	185	44	-5.0	-5.0	PUNCT
eurjchem-2177	185	45	1.5	1.5	NUM
eurjchem-2177	185	46	-2.4	-2.4	NUM
eurjchem-2177	185	47	1	1	NUM
eurjchem-2177	185	48	-x	-x	NUM
eurjchem-2177	185	49	,	,	PUNCT
eurjchem-2177	185	50	-y	-y	PROPN
eurjchem-2177	185	51	,	,	PUNCT
eurjchem-2177	185	52	-z	-z	PROPN
eurjchem-2177	185	53	6.33	6.33	NUM
eurjchem-2177	185	54	3.0	3.0	NUM
eurjchem-2177	185	55	-1.3	-1.3	NUM
eurjchem-2177	185	56	-22.7	-22.7	PROPN
eurjchem-2177	185	57	13.2	13.2	NUM
eurjchem-2177	185	58	-9.4	-9.4	NOUN
eurjchem-2177	185	59	2	2	NUM
eurjchem-2177	185	60	x	x	NOUN
eurjchem-2177	185	61	,	,	PUNCT
eurjchem-2177	185	62	y	y	PROPN
eurjchem-2177	185	63	,	,	PUNCT
eurjchem-2177	185	64	z	z	PROPN
eurjchem-2177	185	65	5.81	5.81	NUM
eurjchem-2177	185	66	-5.4	-5.4	NOUN
eurjchem-2177	185	67	-5.4	-5.4	PROPN
eurjchem-2177	185	68	-28.0	-28.0	NOUN
eurjchem-2177	185	69	18.0	18.0	NUM
eurjchem-2177	185	70	-22.9	-22.9	NUM
eurjchem-2177	185	71	2	2	NUM
eurjchem-2177	185	72	-x+1/2	-x+1/2	PROPN
eurjchem-2177	185	73	,	,	PUNCT
eurjchem-2177	185	74	y+1/2	y+1/2	ADJ
eurjchem-2177	185	75	,	,	PUNCT
eurjchem-2177	185	76	-z+1/2	-z+1/2	PROPN
eurjchem-2177	185	77	7.45	7.45	NUM
eurjchem-2177	185	78	-32.8	-32.8	PUNCT
eurjchem-2177	185	79	-9.8	-9.8	PROPN
eurjchem-2177	185	80	-34.1	-34.1	PROPN
eurjchem-2177	185	81	30.5	30.5	NUM
eurjchem-2177	185	82	-52.8	-52.8	NUM
eurjchem-2177	185	83	2	2	NUM
eurjchem-2177	185	84	-x+1/2	-x+1/2	PROPN
eurjchem-2177	185	85	,	,	PUNCT
eurjchem-2177	185	86	y+1/2	y+1/2	ADJ
eurjchem-2177	185	87	,	,	PUNCT
eurjchem-2177	185	88	-z+1/2	-z+1/2	PROPN
eurjchem-2177	185	89	8.80	8.80	NUM
eurjchem-2177	185	90	-13.0	-13.0	NUM
eurjchem-2177	186	1	-4.2	-4.2	NOUN
eurjchem-2177	186	2	-20.3	-20.3	NUM
eurjchem-2177	186	3	11.6	11.6	NUM
eurjchem-2177	186	4	-27.4	-27.4	NUM
eurjchem-2177	186	5	1	1	NUM
eurjchem-2177	186	6	-x	-x	NOUN
eurjchem-2177	186	7	,	,	PUNCT
eurjchem-2177	186	8	-y	-y	PROPN
eurjchem-2177	186	9	,	,	PUNCT
eurjchem-2177	186	10	-z	-z	PROPN
eurjchem-2177	186	11	5.09	5.09	NUM
eurjchem-2177	186	12	-19.8	-19.8	NOUN
eurjchem-2177	186	13	-5.5	-5.5	PUNCT
eurjchem-2177	186	14	-55.6	-55.6	NUM
eurjchem-2177	186	15	34.6	34.6	NUM
eurjchem-2177	186	16	-52.1	-52.1	NOUN
eurjchem-2177	186	17	*	*	PUNCT
eurjchem-2177	186	18	b3lyp/6	b3lyp/6	NOUN
eurjchem-2177	186	19	-	-	X
eurjchem-2177	186	20	31g(d	31g(d	PROPN
eurjchem-2177	186	21	,	,	PUNCT
eurjchem-2177	186	22	p	p	NOUN
eurjchem-2177	186	23	)	)	PUNCT
eurjchem-2177	186	24	electron	electron	NOUN
eurjchem-2177	186	25	density	density	NOUN
eurjchem-2177	186	26	is	be	AUX
eurjchem-2177	186	27	used	use	VERB
eurjchem-2177	186	28	n	n	PRON
eurjchem-2177	186	29	number	number	NOUN
eurjchem-2177	186	30	of	of	ADP
eurjchem-2177	186	31	pairs	pair	NOUN
eurjchem-2177	186	32	with	with	ADP
eurjchem-2177	186	33	that	that	DET
eurjchem-2177	186	34	energy	energy	NOUN
eurjchem-2177	186	35	,	,	PUNCT
eurjchem-2177	186	36	symop	symop	NOUN
eurjchem-2177	186	37	relates	relate	VERB
eurjchem-2177	186	38	that	that	SCONJ
eurjchem-2177	186	39	particular	particular	ADJ
eurjchem-2177	186	40	color	color	NOUN
eurjchem-2177	186	41	coded	code	VERB
eurjchem-2177	186	42	molecule	molecule	NOUN
eurjchem-2177	186	43	with	with	ADP
eurjchem-2177	186	44	the	the	DET
eurjchem-2177	186	45	central	central	ADJ
eurjchem-2177	186	46	molecule	molecule	NOUN
eurjchem-2177	186	47	.	.	PUNCT
eurjchem-2177	187	1	scale	scale	NOUN
eurjchem-2177	187	2	factors	factor	NOUN
eurjchem-2177	187	3	for	for	ADP
eurjchem-2177	187	4	b3lyp/6	b3lyp/6	NOUN
eurjchem-2177	187	5	-	-	NOUN
eurjchem-2177	187	6	31g(d	31g(d	NUM
eurjchem-2177	187	7	,	,	PUNCT
eurjchem-2177	187	8	p	p	X
eurjchem-2177	187	9	):	):	PUNCT
eurjchem-2177	187	10	1.057(kele	1.057(kele	NUM
eurjchem-2177	187	11	)	)	PUNCT
eurjchem-2177	187	12	,	,	PUNCT
eurjchem-2177	187	13	0.740	0.740	NUM
eurjchem-2177	187	14	(	(	PUNCT
eurjchem-2177	187	15	kpol),0.871	kpol),0.871	PROPN
eurjchem-2177	187	16	(	(	PUNCT
eurjchem-2177	187	17	kdis	kdis	PROPN
eurjchem-2177	187	18	)	)	PUNCT
eurjchem-2177	187	19	and	and	CCONJ
eurjchem-2177	187	20	0.618	0.618	NUM
eurjchem-2177	187	21	(	(	PUNCT
eurjchem-2177	187	22	krep	krep	PROPN
eurjchem-2177	187	23	)	)	PUNCT
eurjchem-2177	187	24	.	.	PUNCT
eurjchem-2177	188	1	table	table	NOUN
eurjchem-2177	188	2	6	6	NUM
eurjchem-2177	188	3	.	.	PUNCT
eurjchem-2177	189	1	computed	compute	VERB
eurjchem-2177	189	2	λmax	λmax	NOUN
eurjchem-2177	189	3	(	(	PUNCT
eurjchem-2177	189	4	λcal	λcal	ADJ
eurjchem-2177	189	5	)	)	PUNCT
eurjchem-2177	189	6	,	,	PUNCT
eurjchem-2177	189	7	excitation	excitation	NOUN
eurjchem-2177	189	8	energy	energy	NOUN
eurjchem-2177	189	9	(	(	PUNCT
eurjchem-2177	189	10	e	e	NOUN
eurjchem-2177	189	11	)	)	PUNCT
eurjchem-2177	189	12	and	and	CCONJ
eurjchem-2177	189	13	oscillator	oscillator	NOUN
eurjchem-2177	189	14	strengths	strength	NOUN
eurjchem-2177	189	15	of	of	ADP
eurjchem-2177	189	16	psma	psma	NOUN
eurjchem-2177	189	17	.	.	PUNCT
eurjchem-2177	190	1	excitation	excitation	NOUN
eurjchem-2177	190	2	no	no	DET
eurjchem-2177	190	3	λcal	λcal	ADJ
eurjchem-2177	190	4	.	.	PUNCT
eurjchem-2177	191	1	(	(	PUNCT
eurjchem-2177	191	2	nm	nm	NOUN
eurjchem-2177	191	3	)	)	PUNCT
eurjchem-2177	191	4	e	e	NOUN
eurjchem-2177	191	5	(	(	PUNCT
eurjchem-2177	191	6	ev	ev	INTJ
eurjchem-2177	191	7	)	)	PUNCT
eurjchem-2177	191	8	fosc	fosc	NOUN
eurjchem-2177	191	9	.	.	PUNCT
eurjchem-2177	192	1	strength	strength	NOUN
eurjchem-2177	192	2	assignment	assignment	NOUN
eurjchem-2177	192	3	1	1	NUM
eurjchem-2177	192	4	271.22	271.22	NUM
eurjchem-2177	192	5	4.5710	4.5710	NUM
eurjchem-2177	192	6	0.0300	0.0300	NUM
eurjchem-2177	192	7	π	π	PROPN
eurjchem-2177	192	8	-	-	PUNCT
eurjchem-2177	192	9	π	π	PROPN
eurjchem-2177	192	10	*	*	PROPN
eurjchem-2177	192	11	2	2	NUM
eurjchem-2177	192	12	251.36	251.36	NUM
eurjchem-2177	192	13	4.9324	4.9324	NUM
eurjchem-2177	192	14	0.4765	0.4765	NUM
eurjchem-2177	192	15	π	π	PROPN
eurjchem-2177	192	16	-	-	PUNCT
eurjchem-2177	192	17	π	π	PROPN
eurjchem-2177	192	18	*	*	PROPN
eurjchem-2177	192	19	4	4	NUM
eurjchem-2177	192	20	237.76	237.76	NUM
eurjchem-2177	192	21	5.2147	5.2147	NUM
eurjchem-2177	192	22	0.0203	0.0203	NUM
eurjchem-2177	193	1	π	π	X
eurjchem-2177	193	2	-	-	PUNCT
eurjchem-2177	193	3	π	π	PROPN
eurjchem-2177	193	4	*	*	PROPN
eurjchem-2177	193	5	13	13	NUM
eurjchem-2177	193	6	204.26	204.26	NUM
eurjchem-2177	193	7	6.0698	6.0698	NUM
eurjchem-2177	193	8	0.1836	0.1836	NUM
eurjchem-2177	193	9	π	π	NOUN
eurjchem-2177	193	10	-	-	PUNCT
eurjchem-2177	193	11	π	π	PROPN
eurjchem-2177	193	12	*	*	NOUN
eurjchem-2177	193	13	figure	figure	NOUN
eurjchem-2177	193	14	12	12	NUM
eurjchem-2177	193	15	.	.	PUNCT
eurjchem-2177	194	1	intermolecular	intermolecular	ADJ
eurjchem-2177	194	2	interactions	interaction	NOUN
eurjchem-2177	194	3	with	with	ADP
eurjchem-2177	194	4	various	various	ADJ
eurjchem-2177	194	5	color	color	NOUN
eurjchem-2177	194	6	codes	code	NOUN
eurjchem-2177	194	7	.	.	PUNCT
eurjchem-2177	195	1	the	the	DET
eurjchem-2177	195	2	color	color	NOUN
eurjchem-2177	195	3	code	code	NOUN
eurjchem-2177	195	4	in	in	ADP
eurjchem-2177	195	5	the	the	DET
eurjchem-2177	195	6	first	first	ADJ
eurjchem-2177	195	7	column	column	NOUN
eurjchem-2177	195	8	represents	represent	VERB
eurjchem-2177	195	9	color	color	NOUN
eurjchem-2177	195	10	of	of	ADP
eurjchem-2177	195	11	the	the	DET
eurjchem-2177	195	12	surrounding	surround	VERB
eurjchem-2177	195	13	molecules	molecule	NOUN
eurjchem-2177	195	14	(	(	PUNCT
eurjchem-2177	195	15	figure	figure	NOUN
eurjchem-2177	195	16	12	12	NUM
eurjchem-2177	195	17	)	)	PUNCT
eurjchem-2177	195	18	,	,	PUNCT
eurjchem-2177	195	19	labelled	label	VERB
eurjchem-2177	195	20	from	from	ADP
eurjchem-2177	195	21	e1	e1	PROPN
eurjchem-2177	195	22	to	to	PART
eurjchem-2177	195	23	e13	e13	VERB
eurjchem-2177	195	24	around	around	ADP
eurjchem-2177	195	25	r.	r.	PROPN
eurjchem-2177	195	26	the	the	DET
eurjchem-2177	195	27	last	last	ADJ
eurjchem-2177	195	28	column	column	NOUN
eurjchem-2177	195	29	of	of	ADP
eurjchem-2177	195	30	the	the	DET
eurjchem-2177	195	31	table	table	NOUN
eurjchem-2177	195	32	provides	provide	VERB
eurjchem-2177	195	33	the	the	DET
eurjchem-2177	195	34	sum	sum	NOUN
eurjchem-2177	195	35	of	of	ADP
eurjchem-2177	195	36	the	the	DET
eurjchem-2177	195	37	scaled	scale	VERB
eurjchem-2177	195	38	values	value	NOUN
eurjchem-2177	195	39	of	of	ADP
eurjchem-2177	195	40	the	the	DET
eurjchem-2177	195	41	individual	individual	ADJ
eurjchem-2177	195	42	components	component	NOUN
eurjchem-2177	195	43	(	(	PUNCT
eurjchem-2177	195	44	unscaled	unscaled	ADJ
eurjchem-2177	195	45	)	)	PUNCT
eurjchem-2177	195	46	.	.	PUNCT
eurjchem-2177	196	1	analyzing	analyze	VERB
eurjchem-2177	196	2	the	the	DET
eurjchem-2177	196	3	energy	energy	NOUN
eurjchem-2177	196	4	components	component	NOUN
eurjchem-2177	196	5	of	of	ADP
eurjchem-2177	196	6	13	13	NUM
eurjchem-2177	196	7	pairs	pair	NOUN
eurjchem-2177	196	8	comprising	comprise	VERB
eurjchem-2177	196	9	r	r	NOUN
eurjchem-2177	196	10	and	and	CCONJ
eurjchem-2177	196	11	e1	e1	NOUN
eurjchem-2177	196	12	to	to	PART
eurjchem-2177	196	13	e13	e13	VERB
eurjchem-2177	196	14	,	,	PUNCT
eurjchem-2177	196	15	the	the	DET
eurjchem-2177	196	16	contribution	contribution	NOUN
eurjchem-2177	196	17	of	of	ADP
eurjchem-2177	196	18	edis	edis	PROPN
eurjchem-2177	196	19	to	to	PART
eurjchem-2177	196	20	etot	etot	VERB
eurjchem-2177	196	21	is	be	AUX
eurjchem-2177	196	22	overwhelming	overwhelming	ADJ
eurjchem-2177	196	23	,	,	PUNCT
eurjchem-2177	196	24	resulting	result	VERB
eurjchem-2177	196	25	in	in	ADP
eurjchem-2177	196	26	crystal	crystal	NOUN
eurjchem-2177	196	27	stabilization	stabilization	NOUN
eurjchem-2177	196	28	,	,	PUNCT
eurjchem-2177	196	29	except	except	SCONJ
eurjchem-2177	196	30	in	in	ADP
eurjchem-2177	196	31	two	two	NUM
eurjchem-2177	196	32	pairs	pair	NOUN
eurjchem-2177	196	33	at	at	ADP
eurjchem-2177	196	34	a	a	DET
eurjchem-2177	196	35	distance	distance	NOUN
eurjchem-2177	196	36	of	of	ADP
eurjchem-2177	196	37	8.44	8.44	NUM
eurjchem-2177	196	38	å	å	NOUN
eurjchem-2177	196	39	in	in	ADP
eurjchem-2177	196	40	which	which	PRON
eurjchem-2177	196	41	eele	eele	ADV
eurjchem-2177	196	42	is	be	AUX
eurjchem-2177	196	43	twice	twice	DET
eurjchem-2177	196	44	the	the	DET
eurjchem-2177	196	45	epol	epol	NOUN
eurjchem-2177	196	46	.	.	PUNCT
eurjchem-2177	197	1	the	the	DET
eurjchem-2177	197	2	higher	high	ADJ
eurjchem-2177	197	3	dispersion	dispersion	NOUN
eurjchem-2177	197	4	energy	energy	NOUN
eurjchem-2177	197	5	-55.6	-55.6	NUM
eurjchem-2177	197	6	kj	kj	PROPN
eurjchem-2177	197	7	/	/	SYM
eurjchem-2177	197	8	mol	mol	ADP
eurjchem-2177	197	9	of	of	ADP
eurjchem-2177	197	10	the	the	DET
eurjchem-2177	197	11	r	r	NOUN
eurjchem-2177	197	12	-	-	PUNCT
eurjchem-2177	197	13	e3	e3	NOUN
eurjchem-2177	197	14	pair	pair	NOUN
eurjchem-2177	197	15	whose	whose	DET
eurjchem-2177	197	16	centroids	centroid	NOUN
eurjchem-2177	197	17	are	be	AUX
eurjchem-2177	197	18	5.09	5.09	NUM
eurjchem-2177	197	19	å	å	PROPN
eurjchem-2177	197	20	apart	apart	ADV
eurjchem-2177	197	21	has	have	VERB
eurjchem-2177	197	22	intermolecular	intermolecular	ADJ
eurjchem-2177	197	23	hydrogen	hydrogen	NOUN
eurjchem-2177	197	24	bond	bond	NOUN
eurjchem-2177	197	25	interaction	interaction	NOUN
eurjchem-2177	197	26	through	through	ADP
eurjchem-2177	197	27	>	>	X
eurjchem-2177	197	28	so2	so2	PROPN
eurjchem-2177	197	29	and	and	CCONJ
eurjchem-2177	197	30	-nh2	-nh2	PROPN
eurjchem-2177	197	31	units	unit	NOUN
eurjchem-2177	197	32	reciprocally	reciprocally	ADV
eurjchem-2177	197	33	,	,	PUNCT
eurjchem-2177	197	34	followed	follow	VERB
eurjchem-2177	197	35	by	by	ADP
eurjchem-2177	197	36	the	the	DET
eurjchem-2177	197	37	r	r	PROPN
eurjchem-2177	197	38	-	-	PUNCT
eurjchem-2177	197	39	e5	e5	PROPN
eurjchem-2177	197	40	and	and	CCONJ
eurjchem-2177	197	41	r	r	NOUN
eurjchem-2177	197	42	-e6	-e6	NOUN
eurjchem-2177	197	43	pairs	pair	NOUN
eurjchem-2177	197	44	with	with	ADP
eurjchem-2177	197	45	centroids	centroid	NOUN
eurjchem-2177	197	46	7.45	7.45	NUM
eurjchem-2177	197	47	å	å	X
eurjchem-2177	197	48	apart	apart	ADV
eurjchem-2177	197	49	(	(	PUNCT
eurjchem-2177	197	50	-17.05	-17.05	PROPN
eurjchem-2177	197	51	kj	kj	PROPN
eurjchem-2177	197	52	/	/	SYM
eurjchem-2177	197	53	mol	mol	PROPN
eurjchem-2177	197	54	)	)	PUNCT
eurjchem-2177	197	55	.	.	PUNCT
eurjchem-2177	198	1	thus	thus	ADV
eurjchem-2177	198	2	,	,	PUNCT
eurjchem-2177	198	3	the	the	DET
eurjchem-2177	198	4	strength	strength	NOUN
eurjchem-2177	198	5	of	of	ADP
eurjchem-2177	198	6	the	the	DET
eurjchem-2177	198	7	hydrogen	hydrogen	NOUN
eurjchem-2177	198	8	bond	bond	NOUN
eurjchem-2177	198	9	interaction	interaction	NOUN
eurjchem-2177	198	10	may	may	AUX
eurjchem-2177	198	11	be	be	AUX
eurjchem-2177	198	12	roughly	roughly	ADV
eurjchem-2177	198	13	quantified	quantify	VERB
eurjchem-2177	198	14	in	in	ADP
eurjchem-2177	198	15	terms	term	NOUN
eurjchem-2177	198	16	of	of	ADP
eurjchem-2177	198	17	edis	edis	PROPN
eurjchem-2177	198	18	provided	provide	VERB
eurjchem-2177	198	19	if	if	SCONJ
eurjchem-2177	198	20	r	r	NOUN
eurjchem-2177	198	21	is	be	AUX
eurjchem-2177	198	22	relatively	relatively	ADV
eurjchem-2177	198	23	low	low	ADJ
eurjchem-2177	198	24	.	.	PUNCT
eurjchem-2177	199	1	energy	energy	NOUN
eurjchem-2177	199	2	framework	framework	NOUN
eurjchem-2177	199	3	is	be	AUX
eurjchem-2177	199	4	a	a	DET
eurjchem-2177	199	5	picturesque	picturesque	ADJ
eurjchem-2177	199	6	representation	representation	NOUN
eurjchem-2177	199	7	of	of	ADP
eurjchem-2177	199	8	intermolecular	intermolecular	ADJ
eurjchem-2177	199	9	interactions	interaction	NOUN
eurjchem-2177	199	10	that	that	PRON
eurjchem-2177	199	11	would	would	AUX
eurjchem-2177	199	12	help	help	VERB
eurjchem-2177	199	13	to	to	PART
eurjchem-2177	199	14	have	have	VERB
eurjchem-2177	199	15	a	a	DET
eurjchem-2177	199	16	clear	clear	ADJ
eurjchem-2177	199	17	idea	idea	NOUN
eurjchem-2177	199	18	about	about	ADP
eurjchem-2177	199	19	crystal	crystal	NOUN
eurjchem-2177	199	20	packing	packing	NOUN
eurjchem-2177	199	21	.	.	PUNCT
eurjchem-2177	200	1	the	the	DET
eurjchem-2177	200	2	reference	reference	NOUN
eurjchem-2177	200	3	molecule	molecule	NOUN
eurjchem-2177	200	4	psma	psma	NOUN
eurjchem-2177	200	5	generated	generate	VERB
eurjchem-2177	200	6	from	from	ADP
eurjchem-2177	200	7	the	the	DET
eurjchem-2177	200	8	cif	cif	PROPN
eurjchem-2177	200	9	file	file	NOUN
eurjchem-2177	200	10	is	be	AUX
eurjchem-2177	200	11	used	use	VERB
eurjchem-2177	200	12	to	to	PART
eurjchem-2177	200	13	simulate	simulate	VERB
eurjchem-2177	200	14	a	a	DET
eurjchem-2177	200	15	group	group	NOUN
eurjchem-2177	200	16	of	of	ADP
eurjchem-2177	200	17	1×1×1	1×1×1	NUM
eurjchem-2177	200	18	unit	unit	NOUN
eurjchem-2177	200	19	cells	cell	NOUN
eurjchem-2177	200	20	,	,	PUNCT
eurjchem-2177	200	21	which	which	PRON
eurjchem-2177	200	22	encompasses	encompass	VERB
eurjchem-2177	200	23	12	12	NUM
eurjchem-2177	200	24	molecules	molecule	NOUN
eurjchem-2177	200	25	after	after	ADP
eurjchem-2177	200	26	the	the	DET
eurjchem-2177	200	27	completion	completion	NOUN
eurjchem-2177	200	28	of	of	ADP
eurjchem-2177	200	29	all	all	DET
eurjchem-2177	200	30	molecular	molecular	ADJ
eurjchem-2177	200	31	fragments	fragment	NOUN
eurjchem-2177	200	32	.	.	PUNCT
eurjchem-2177	201	1	for	for	ADP
eurjchem-2177	201	2	this	this	DET
eurjchem-2177	201	3	cluster	cluster	NOUN
eurjchem-2177	201	4	total	total	NOUN
eurjchem-2177	201	5	as	as	ADV
eurjchem-2177	201	6	well	well	ADV
eurjchem-2177	201	7	as	as	ADP
eurjchem-2177	201	8	the	the	DET
eurjchem-2177	201	9	corresponding	corresponding	ADJ
eurjchem-2177	201	10	energy	energy	NOUN
eurjchem-2177	201	11	components	component	NOUN
eurjchem-2177	201	12	have	have	AUX
eurjchem-2177	201	13	been	be	AUX
eurjchem-2177	201	14	estimated	estimate	VERB
eurjchem-2177	201	15	at	at	ADP
eurjchem-2177	201	16	ceb3lyp/6	ceb3lyp/6	PROPN
eurjchem-2177	201	17	-	-	SYM
eurjchem-2177	201	18	31g(d	31g(d	PROPN
eurjchem-2177	201	19	,	,	PUNCT
eurjchem-2177	201	20	p	p	NOUN
eurjchem-2177	201	21	)	)	PUNCT
eurjchem-2177	201	22	to	to	PART
eurjchem-2177	201	23	construct	construct	VERB
eurjchem-2177	201	24	the	the	DET
eurjchem-2177	201	25	energy	energy	NOUN
eurjchem-2177	201	26	frameworks	framework	NOUN
eurjchem-2177	201	27	of	of	ADP
eurjchem-2177	201	28	coulomb	coulomb	NOUN
eurjchem-2177	201	29	energy	energy	NOUN
eurjchem-2177	201	30	,	,	PUNCT
eurjchem-2177	201	31	dispersion	dispersion	NOUN
eurjchem-2177	201	32	energy	energy	NOUN
eurjchem-2177	201	33	and	and	CCONJ
eurjchem-2177	201	34	total	total	ADJ
eurjchem-2177	201	35	energy	energy	NOUN
eurjchem-2177	202	1	[	[	X
eurjchem-2177	202	2	47	47	NUM
eurjchem-2177	202	3	]	]	PUNCT
eurjchem-2177	202	4	in	in	ADP
eurjchem-2177	202	5	the	the	DET
eurjchem-2177	202	6	form	form	NOUN
eurjchem-2177	202	7	of	of	ADP
eurjchem-2177	202	8	scaled	scaled	ADJ
eurjchem-2177	202	9	cylinders	cylinder	NOUN
eurjchem-2177	202	10	of	of	ADP
eurjchem-2177	202	11	100	100	NUM
eurjchem-2177	202	12	.	.	PUNCT
eurjchem-2177	203	1	total	total	ADJ
eurjchem-2177	203	2	energy	energy	NOUN
eurjchem-2177	203	3	components	component	NOUN
eurjchem-2177	203	4	less	less	ADJ
eurjchem-2177	203	5	than	than	ADP
eurjchem-2177	203	6	10	10	NUM
eurjchem-2177	203	7	kj	kj	PROPN
eurjchem-2177	203	8	/	/	SYM
eurjchem-2177	203	9	mole	mole	NOUN
eurjchem-2177	203	10	have	have	AUX
eurjchem-2177	203	11	been	be	AUX
eurjchem-2177	203	12	dropped	drop	VERB
eurjchem-2177	203	13	for	for	ADP
eurjchem-2177	203	14	clarity	clarity	NOUN
eurjchem-2177	203	15	,	,	PUNCT
eurjchem-2177	203	16	as	as	SCONJ
eurjchem-2177	203	17	shown	show	VERB
eurjchem-2177	203	18	in	in	ADP
eurjchem-2177	203	19	figure	figure	NOUN
eurjchem-2177	203	20	13a	13a	NOUN
eurjchem-2177	203	21	-	-	PUNCT
eurjchem-2177	203	22	d.	d.	NOUN
eurjchem-2177	203	23	the	the	DET
eurjchem-2177	203	24	relative	relative	ADJ
eurjchem-2177	203	25	strengths	strength	NOUN
eurjchem-2177	203	26	of	of	ADP
eurjchem-2177	203	27	vectorial	vectorial	ADJ
eurjchem-2177	203	28	interaction	interaction	NOUN
eurjchem-2177	203	29	energies	energy	NOUN
eurjchem-2177	203	30	are	be	AUX
eurjchem-2177	203	31	correlated	correlate	VERB
eurjchem-2177	203	32	with	with	ADP
eurjchem-2177	203	33	the	the	DET
eurjchem-2177	203	34	size	size	NOUN
eurjchem-2177	203	35	of	of	ADP
eurjchem-2177	203	36	the	the	DET
eurjchem-2177	203	37	cylinders	cylinder	NOUN
eurjchem-2177	203	38	.	.	PUNCT
eurjchem-2177	204	1	comparison	comparison	NOUN
eurjchem-2177	204	2	of	of	ADP
eurjchem-2177	204	3	the	the	DET
eurjchem-2177	204	4	dimensions	dimension	NOUN
eurjchem-2177	204	5	of	of	ADP
eurjchem-2177	204	6	cylinders	cylinder	NOUN
eurjchem-2177	204	7	in	in	ADP
eurjchem-2177	204	8	the	the	DET
eurjchem-2177	204	9	energy	energy	NOUN
eurjchem-2177	204	10	frameworks	framework	NOUN
eurjchem-2177	204	11	substantiate	substantiate	VERB
eurjchem-2177	204	12	that	that	SCONJ
eurjchem-2177	204	13	the	the	DET
eurjchem-2177	204	14	dispersion	dispersion	NOUN
eurjchem-2177	204	15	energy	energy	NOUN
eurjchem-2177	204	16	contribution	contribution	NOUN
eurjchem-2177	204	17	to	to	ADP
eurjchem-2177	204	18	the	the	DET
eurjchem-2177	204	19	total	total	ADJ
eurjchem-2177	204	20	energy	energy	NOUN
eurjchem-2177	204	21	is	be	AUX
eurjchem-2177	204	22	significant	significant	ADJ
eurjchem-2177	204	23	to	to	ADP
eurjchem-2177	204	24	the	the	DET
eurjchem-2177	204	25	crystal	crystal	NOUN
eurjchem-2177	204	26	packing	packing	NOUN
eurjchem-2177	204	27	,	,	PUNCT
eurjchem-2177	204	28	and	and	CCONJ
eurjchem-2177	204	29	this	this	PRON
eurjchem-2177	204	30	is	be	AUX
eurjchem-2177	204	31	followed	follow	VERB
eurjchem-2177	204	32	by	by	ADP
eurjchem-2177	204	33	electrostatic	electrostatic	ADJ
eurjchem-2177	204	34	interaction	interaction	NOUN
eurjchem-2177	204	35	of	of	ADP
eurjchem-2177	204	36	the	the	DET
eurjchem-2177	204	37	charge	charge	NOUN
eurjchem-2177	204	38	distribution	distribution	NOUN
eurjchem-2177	204	39	among	among	ADP
eurjchem-2177	204	40	the	the	DET
eurjchem-2177	204	41	interacting	interact	VERB
eurjchem-2177	204	42	monomers	monomer	NOUN
eurjchem-2177	204	43	.	.	PUNCT
eurjchem-2177	205	1	figure	figure	NOUN
eurjchem-2177	205	2	13d	13d	NOUN
eurjchem-2177	205	3	shows	show	VERB
eurjchem-2177	205	4	that	that	SCONJ
eurjchem-2177	205	5	the	the	DET
eurjchem-2177	205	6	|etot|	|etot|	NOUN
eurjchem-2177	205	7	is	be	AUX
eurjchem-2177	205	8	inversely	inversely	ADV
eurjchem-2177	205	9	related	relate	VERB
eurjchem-2177	205	10	to	to	ADP
eurjchem-2177	205	11	the	the	DET
eurjchem-2177	205	12	distance	distance	NOUN
eurjchem-2177	205	13	between	between	ADP
eurjchem-2177	205	14	the	the	DET
eurjchem-2177	205	15	centroids	centroid	NOUN
eurjchem-2177	205	16	of	of	ADP
eurjchem-2177	205	17	the	the	DET
eurjchem-2177	205	18	interacting	interact	VERB
eurjchem-2177	205	19	pair	pair	NOUN
eurjchem-2177	205	20	.	.	PUNCT
eurjchem-2177	206	1	3.4	3.4	NUM
eurjchem-2177	206	2	.	.	PUNCT
eurjchem-2177	206	3	electronic	electronic	ADJ
eurjchem-2177	206	4	spectral	spectral	ADJ
eurjchem-2177	206	5	analysis	analysis	NOUN
eurjchem-2177	206	6	of	of	ADP
eurjchem-2177	206	7	psma	psma	NOUN
eurjchem-2177	206	8	the	the	DET
eurjchem-2177	206	9	electronic	electronic	ADJ
eurjchem-2177	206	10	excitation	excitation	NOUN
eurjchem-2177	206	11	in	in	ADP
eurjchem-2177	206	12	the	the	DET
eurjchem-2177	206	13	uv	uv	NOUN
eurjchem-2177	206	14	-	-	PUNCT
eurjchem-2177	206	15	visible	visible	ADJ
eurjchem-2177	206	16	region	region	NOUN
eurjchem-2177	206	17	of	of	ADP
eurjchem-2177	206	18	psma	psma	NOUN
eurjchem-2177	206	19	in	in	ADP
eurjchem-2177	206	20	methanol	methanol	NOUN
eurjchem-2177	206	21	medium	medium	NOUN
eurjchem-2177	206	22	measured	measure	VERB
eurjchem-2177	206	23	experimentally	experimentally	ADV
eurjchem-2177	206	24	is	be	AUX
eurjchem-2177	206	25	shown	show	VERB
eurjchem-2177	206	26	in	in	ADP
eurjchem-2177	206	27	figure	figure	NOUN
eurjchem-2177	206	28	14	14	NUM
eurjchem-2177	206	29	and	and	CCONJ
eurjchem-2177	206	30	the	the	DET
eurjchem-2177	206	31	prominent	prominent	ADJ
eurjchem-2177	206	32	transition	transition	NOUN
eurjchem-2177	206	33	wavelength	wavelength	NOUN
eurjchem-2177	206	34	(	(	PUNCT
eurjchem-2177	206	35	λmax	λmax	NOUN
eurjchem-2177	206	36	)	)	PUNCT
eurjchem-2177	206	37	has	have	AUX
eurjchem-2177	206	38	been	be	AUX
eurjchem-2177	206	39	observed	observe	VERB
eurjchem-2177	206	40	at	at	ADP
eurjchem-2177	206	41	251	251	NUM
eurjchem-2177	206	42	nm	nm	NOUN
eurjchem-2177	206	43	.	.	PUNCT
eurjchem-2177	207	1	the	the	DET
eurjchem-2177	207	2	adiabatic	adiabatic	ADJ
eurjchem-2177	207	3	excitation	excitation	NOUN
eurjchem-2177	207	4	energies	energy	NOUN
eurjchem-2177	207	5	have	have	AUX
eurjchem-2177	207	6	been	be	AUX
eurjchem-2177	207	7	computed	compute	VERB
eurjchem-2177	207	8	with	with	ADP
eurjchem-2177	207	9	td	td	NOUN
eurjchem-2177	207	10	-	-	PUNCT
eurjchem-2177	207	11	dft	dft	NOUN
eurjchem-2177	207	12	in	in	ADP
eurjchem-2177	207	13	methanol	methanol	NOUN
eurjchem-2177	207	14	solvent	solvent	NOUN
eurjchem-2177	207	15	for	for	ADP
eurjchem-2177	207	16	the	the	DET
eurjchem-2177	207	17	optimized	optimize	VERB
eurjchem-2177	207	18	geometry	geometry	NOUN
eurjchem-2177	207	19	using	use	VERB
eurjchem-2177	207	20	6	6	NUM
eurjchem-2177	207	21	-	-	PUNCT
eurjchem-2177	207	22	311++g(d	311++g(d	ADJ
eurjchem-2177	207	23	,	,	PUNCT
eurjchem-2177	207	24	p	p	NOUN
eurjchem-2177	207	25	)	)	PUNCT
eurjchem-2177	207	26	basis	basis	NOUN
eurjchem-2177	207	27	set	set	VERB
eurjchem-2177	207	28	for	for	ADP
eurjchem-2177	207	29	40	40	NUM
eurjchem-2177	207	30	excited	excited	ADJ
eurjchem-2177	207	31	states	state	NOUN
eurjchem-2177	207	32	.	.	PUNCT
eurjchem-2177	208	1	the	the	DET
eurjchem-2177	208	2	results	result	NOUN
eurjchem-2177	208	3	reveal	reveal	VERB
eurjchem-2177	208	4	that	that	SCONJ
eurjchem-2177	208	5	the	the	DET
eurjchem-2177	208	6	most	most	ADV
eurjchem-2177	208	7	probable	probable	ADJ
eurjchem-2177	208	8	electronic	electronic	ADJ
eurjchem-2177	208	9	transitions	transition	NOUN
eurjchem-2177	208	10	are	be	AUX
eurjchem-2177	208	11	those	those	PRON
eurjchem-2177	208	12	with	with	ADP
eurjchem-2177	208	13	oscillator	oscillator	NOUN
eurjchem-2177	208	14	strengths	strength	NOUN
eurjchem-2177	208	15	(	(	PUNCT
eurjchem-2177	208	16	f	f	X
eurjchem-2177	208	17	)	)	PUNCT
eurjchem-2177	208	18	0.03	0.03	NUM
eurjchem-2177	208	19	,	,	PUNCT
eurjchem-2177	208	20	0.4765	0.4765	NUM
eurjchem-2177	208	21	,	,	PUNCT
eurjchem-2177	208	22	0.0203	0.0203	NUM
eurjchem-2177	208	23	,	,	PUNCT
eurjchem-2177	208	24	0.1836	0.1836	NUM
eurjchem-2177	208	25	,	,	PUNCT
eurjchem-2177	208	26	and	and	CCONJ
eurjchem-2177	208	27	0.6868	0.6868	NUM
eurjchem-2177	208	28	corresponding	correspond	VERB
eurjchem-2177	208	29	to	to	ADP
eurjchem-2177	208	30	the	the	DET
eurjchem-2177	208	31	excitation	excitation	NOUN
eurjchem-2177	208	32	states	state	NOUN
eurjchem-2177	208	33	1	1	NUM
eurjchem-2177	208	34	,	,	PUNCT
eurjchem-2177	208	35	2	2	NUM
eurjchem-2177	208	36	,	,	PUNCT
eurjchem-2177	208	37	4	4	NUM
eurjchem-2177	208	38	,	,	PUNCT
eurjchem-2177	208	39	13	13	NUM
eurjchem-2177	208	40	and	and	CCONJ
eurjchem-2177	208	41	19	19	NUM
eurjchem-2177	208	42	,	,	PUNCT
eurjchem-2177	208	43	respectively	respectively	ADV
eurjchem-2177	208	44	.	.	PUNCT
eurjchem-2177	209	1	the	the	DET
eurjchem-2177	209	2	theoretically	theoretically	ADV
eurjchem-2177	209	3	simulated	simulate	VERB
eurjchem-2177	209	4	electronic	electronic	ADJ
eurjchem-2177	209	5	spectrum	spectrum	NOUN
eurjchem-2177	209	6	is	be	AUX
eurjchem-2177	209	7	shown	show	VERB
eurjchem-2177	209	8	in	in	ADP
eurjchem-2177	209	9	figure	figure	NOUN
eurjchem-2177	209	10	15	15	NUM
eurjchem-2177	209	11	.	.	PUNCT
eurjchem-2177	210	1	the	the	DET
eurjchem-2177	210	2	first	first	ADJ
eurjchem-2177	210	3	transition	transition	NOUN
eurjchem-2177	210	4	occurs	occur	VERB
eurjchem-2177	210	5	from	from	ADP
eurjchem-2177	210	6	homo	homo	NOUN
eurjchem-2177	210	7	to	to	ADP
eurjchem-2177	210	8	lumo	lumo	NOUN
eurjchem-2177	210	9	(	(	PUNCT
eurjchem-2177	210	10	mo-64→mo-65	mo-64→mo-65	PROPN
eurjchem-2177	210	11	)	)	PUNCT
eurjchem-2177	210	12	.	.	PUNCT
eurjchem-2177	211	1	all	all	DET
eurjchem-2177	211	2	singlet	singlet	ADJ
eurjchem-2177	211	3	excitations	excitation	NOUN
eurjchem-2177	211	4	with	with	ADP
eurjchem-2177	211	5	appreciable	appreciable	ADJ
eurjchem-2177	211	6	oscillator	oscillator	NOUN
eurjchem-2177	211	7	strengths	strength	NOUN
eurjchem-2177	211	8	have	have	AUX
eurjchem-2177	211	9	been	be	AUX
eurjchem-2177	211	10	collected	collect	VERB
eurjchem-2177	211	11	in	in	ADP
eurjchem-2177	211	12	table	table	NOUN
eurjchem-2177	211	13	6	6	NUM
eurjchem-2177	211	14	.	.	PUNCT
eurjchem-2177	212	1	428	428	NUM
eurjchem-2177	212	2	krishnan	krishnan	PROPN
eurjchem-2177	212	3	et	et	PROPN
eurjchem-2177	212	4	al	al	PROPN
eurjchem-2177	212	5	.	.	PUNCT
eurjchem-2177	212	6	/	/	SYM
eurjchem-2177	212	7	european	european	PROPN
eurjchem-2177	212	8	journal	journal	PROPN
eurjchem-2177	212	9	of	of	ADP
eurjchem-2177	212	10	chemistry	chemistry	NOUN
eurjchem-2177	212	11	12	12	NUM
eurjchem-2177	212	12	(	(	PUNCT
eurjchem-2177	212	13	4	4	NUM
eurjchem-2177	212	14	)	)	PUNCT
eurjchem-2177	212	15	(	(	PUNCT
eurjchem-2177	212	16	2021	2021	NUM
eurjchem-2177	212	17	)	)	PUNCT
eurjchem-2177	212	18	419	419	NUM
eurjchem-2177	212	19	-	-	SYM
eurjchem-2177	212	20	431	431	NUM
eurjchem-2177	212	21	2021	2021	NUM
eurjchem-2177	212	22	–	–	PUNCT
eurjchem-2177	212	23	european	european	ADJ
eurjchem-2177	212	24	journal	journal	NOUN
eurjchem-2177	212	25	of	of	ADP
eurjchem-2177	212	26	chemistry	chemistry	NOUN
eurjchem-2177	212	27	–	–	PUNCT
eurjchem-2177	212	28	cc	cc	NOUN
eurjchem-2177	212	29	by	by	ADP
eurjchem-2177	212	30	nc	nc	PROPN
eurjchem-2177	212	31	–	–	PUNCT
eurjchem-2177	212	32	doi	doi	NOUN
eurjchem-2177	212	33	:	:	PUNCT
eurjchem-2177	212	34	10.5155	10.5155	NUM
eurjchem-2177	212	35	/	/	SYM
eurjchem-2177	212	36	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	212	37	-	-	PUNCT
eurjchem-2177	212	38	431.2177	431.2177	NUM
eurjchem-2177	212	39	(	(	PUNCT
eurjchem-2177	212	40	a	a	NOUN
eurjchem-2177	212	41	)	)	PUNCT
eurjchem-2177	212	42	(	(	PUNCT
eurjchem-2177	212	43	b	b	X
eurjchem-2177	212	44	)	)	PUNCT
eurjchem-2177	212	45	(	(	PUNCT
eurjchem-2177	212	46	c	c	X
eurjchem-2177	212	47	)	)	PUNCT
eurjchem-2177	212	48	(	(	PUNCT
eurjchem-2177	212	49	d	d	X
eurjchem-2177	212	50	)	)	PUNCT
eurjchem-2177	212	51	figure	figure	NOUN
eurjchem-2177	212	52	13	13	NUM
eurjchem-2177	212	53	.	.	PUNCT
eurjchem-2177	213	1	energy	energy	NOUN
eurjchem-2177	213	2	framework	framework	NOUN
eurjchem-2177	213	3	diagram	diagram	NOUN
eurjchem-2177	213	4	for	for	ADP
eurjchem-2177	213	5	(	(	PUNCT
eurjchem-2177	213	6	a	a	PRON
eurjchem-2177	213	7	)	)	PUNCT
eurjchem-2177	213	8	coulomb	coulomb	NOUN
eurjchem-2177	213	9	energy	energy	NOUN
eurjchem-2177	213	10	component	component	NOUN
eurjchem-2177	213	11	,	,	PUNCT
eurjchem-2177	213	12	(	(	PUNCT
eurjchem-2177	213	13	b	b	X
eurjchem-2177	213	14	)	)	PUNCT
eurjchem-2177	213	15	dispersion	dispersion	NOUN
eurjchem-2177	213	16	energy	energy	NOUN
eurjchem-2177	213	17	component	component	NOUN
eurjchem-2177	213	18	,	,	PUNCT
eurjchem-2177	213	19	(	(	PUNCT
eurjchem-2177	213	20	c	c	NOUN
eurjchem-2177	213	21	)	)	PUNCT
eurjchem-2177	213	22	total	total	ADJ
eurjchem-2177	213	23	energy	energy	NOUN
eurjchem-2177	213	24	,	,	PUNCT
eurjchem-2177	213	25	and	and	CCONJ
eurjchem-2177	213	26	(	(	PUNCT
eurjchem-2177	213	27	d	d	NOUN
eurjchem-2177	213	28	)	)	PUNCT
eurjchem-2177	213	29	total	total	ADJ
eurjchem-2177	213	30	energy	energy	NOUN
eurjchem-2177	213	31	annotated	annotate	VERB
eurjchem-2177	213	32	.	.	PUNCT
eurjchem-2177	214	1	figure	figure	VERB
eurjchem-2177	214	2	14	14	NUM
eurjchem-2177	214	3	.	.	PUNCT
eurjchem-2177	215	1	experimental	experimental	ADJ
eurjchem-2177	215	2	uv	uv	NOUN
eurjchem-2177	215	3	-	-	PUNCT
eurjchem-2177	215	4	visible	visible	ADJ
eurjchem-2177	215	5	spectrum	spectrum	NOUN
eurjchem-2177	215	6	of	of	ADP
eurjchem-2177	215	7	psma	psma	PROPN
eurjchem-2177	215	8	.	.	PUNCT
eurjchem-2177	216	1	figure	figure	VERB
eurjchem-2177	216	2	15	15	NUM
eurjchem-2177	216	3	.	.	PUNCT
eurjchem-2177	217	1	theoretical	theoretical	ADJ
eurjchem-2177	217	2	uv	uv	PROPN
eurjchem-2177	217	3	visible	visible	ADJ
eurjchem-2177	217	4	spectrum	spectrum	NOUN
eurjchem-2177	217	5	of	of	ADP
eurjchem-2177	217	6	psma	psma	PROPN
eurjchem-2177	217	7	.	.	PUNCT
eurjchem-2177	218	1	the	the	DET
eurjchem-2177	218	2	experimentally	experimentally	ADV
eurjchem-2177	218	3	observed	observe	VERB
eurjchem-2177	218	4	absorption	absorption	NOUN
eurjchem-2177	218	5	at	at	ADP
eurjchem-2177	218	6	251	251	NUM
eurjchem-2177	218	7	nm	nm	NOUN
eurjchem-2177	218	8	exactly	exactly	ADV
eurjchem-2177	218	9	coincides	coincide	VERB
eurjchem-2177	218	10	with	with	ADP
eurjchem-2177	218	11	the	the	DET
eurjchem-2177	218	12	calculated	calculated	ADJ
eurjchem-2177	218	13	second	second	ADJ
eurjchem-2177	218	14	excitation	excitation	NOUN
eurjchem-2177	218	15	(	(	PUNCT
eurjchem-2177	218	16	251.35	251.35	NUM
eurjchem-2177	218	17	nm	nm	NOUN
eurjchem-2177	218	18	)	)	PUNCT
eurjchem-2177	218	19	involving	involve	VERB
eurjchem-2177	218	20	electron	electron	NOUN
eurjchem-2177	218	21	transfer	transfer	NOUN
eurjchem-2177	218	22	from	from	ADP
eurjchem-2177	218	23	homo-2	homo-2	NUM
eurjchem-2177	218	24	(	(	PUNCT
eurjchem-2177	218	25	mo-62	mo-62	X
eurjchem-2177	218	26	)	)	PUNCT
eurjchem-2177	218	27	and	and	CCONJ
eurjchem-2177	218	28	homo	homo	NOUN
eurjchem-2177	218	29	(	(	PUNCT
eurjchem-2177	218	30	mo-64	mo-64	NUM
eurjchem-2177	218	31	)	)	PUNCT
eurjchem-2177	218	32	to	to	ADP
eurjchem-2177	218	33	lumo	lumo	NOUN
eurjchem-2177	218	34	(	(	PUNCT
eurjchem-2177	218	35	mo-65	mo-65	NUM
eurjchem-2177	218	36	)	)	PUNCT
eurjchem-2177	218	37	,	,	PUNCT
eurjchem-2177	218	38	lumo+1	lumo+1	PROPN
eurjchem-2177	218	39	(	(	PUNCT
eurjchem-2177	218	40	mo-66	mo-66	NOUN
eurjchem-2177	218	41	)	)	PUNCT
eurjchem-2177	218	42	and	and	CCONJ
eurjchem-2177	218	43	lumo+2	lumo+2	PROPN
eurjchem-2177	218	44	(	(	PUNCT
eurjchem-2177	218	45	mo-67	mo-67	NOUN
eurjchem-2177	218	46	)	)	PUNCT
eurjchem-2177	218	47	.	.	PUNCT
eurjchem-2177	219	1	to	to	PART
eurjchem-2177	219	2	eliminate	eliminate	VERB
eurjchem-2177	219	3	the	the	DET
eurjchem-2177	219	4	multiple	multiple	ADJ
eurjchem-2177	219	5	excitations	excitation	NOUN
eurjchem-2177	219	6	and	and	CCONJ
eurjchem-2177	219	7	to	to	PART
eurjchem-2177	219	8	identify	identify	VERB
eurjchem-2177	219	9	the	the	DET
eurjchem-2177	219	10	dominant	dominant	ADJ
eurjchem-2177	219	11	component	component	NOUN
eurjchem-2177	219	12	,	,	PUNCT
eurjchem-2177	219	13	the	the	DET
eurjchem-2177	219	14	corresponding	correspond	VERB
eurjchem-2177	219	15	ntos	nto	NOUN
eurjchem-2177	219	16	have	have	AUX
eurjchem-2177	219	17	generated	generate	VERB
eurjchem-2177	219	18	to	to	PART
eurjchem-2177	219	19	recognize	recognize	VERB
eurjchem-2177	219	20	the	the	DET
eurjchem-2177	219	21	nto	nto	PROPN
eurjchem-2177	219	22	transition	transition	NOUN
eurjchem-2177	219	23	from	from	ADP
eurjchem-2177	219	24	excited	excited	ADJ
eurjchem-2177	219	25	particle	particle	NOUN
eurjchem-2177	219	26	(	(	PUNCT
eurjchem-2177	219	27	occupied	occupy	VERB
eurjchem-2177	219	28	)	)	PUNCT
eurjchem-2177	219	29	to	to	ADP
eurjchem-2177	219	30	the	the	DET
eurjchem-2177	219	31	empty	empty	ADJ
eurjchem-2177	219	32	hole	hole	NOUN
eurjchem-2177	219	33	(	(	PUNCT
eurjchem-2177	219	34	unoccupied	unoccupied	ADJ
eurjchem-2177	219	35	)	)	PUNCT
eurjchem-2177	220	1	[	[	X
eurjchem-2177	220	2	49	49	NUM
eurjchem-2177	220	3	]	]	PUNCT
eurjchem-2177	220	4	showing	show	VERB
eurjchem-2177	220	5	the	the	DET
eurjchem-2177	220	6	chemical	chemical	NOUN
eurjchem-2177	220	7	intuition	intuition	NOUN
eurjchem-2177	220	8	of	of	ADP
eurjchem-2177	220	9	excitation	excitation	NOUN
eurjchem-2177	220	10	.	.	PUNCT
eurjchem-2177	221	1	the	the	DET
eurjchem-2177	221	2	direct	direct	ADJ
eurjchem-2177	221	3	td	td	NOUN
eurjchem-2177	221	4	-	-	PUNCT
eurjchem-2177	221	5	dft	dft	NOUN
eurjchem-2177	221	6	calculation	calculation	NOUN
eurjchem-2177	221	7	has	have	AUX
eurjchem-2177	221	8	provided	provide	VERB
eurjchem-2177	221	9	three	three	NUM
eurjchem-2177	221	10	combinations	combination	NOUN
eurjchem-2177	221	11	on	on	ADP
eurjchem-2177	221	12	a	a	DET
eurjchem-2177	221	13	canonical	canonical	ADJ
eurjchem-2177	221	14	basis	basis	NOUN
eurjchem-2177	221	15	,	,	PUNCT
eurjchem-2177	221	16	whereas	whereas	SCONJ
eurjchem-2177	221	17	nto	nto	PROPN
eurjchem-2177	221	18	has	have	AUX
eurjchem-2177	221	19	given	give	VERB
eurjchem-2177	221	20	a	a	DET
eurjchem-2177	221	21	better	well	ADJ
eurjchem-2177	221	22	conceptualization	conceptualization	NOUN
eurjchem-2177	221	23	of	of	ADP
eurjchem-2177	221	24	homo	homo	NOUN
eurjchem-2177	221	25	to	to	ADP
eurjchem-2177	221	26	lumo	lumo	ADJ
eurjchem-2177	221	27	excitation	excitation	NOUN
eurjchem-2177	221	28	to	to	ADP
eurjchem-2177	221	29	the	the	DET
eurjchem-2177	221	30	extent	extent	NOUN
eurjchem-2177	221	31	of	of	ADP
eurjchem-2177	221	32	95.5	95.5	NUM
eurjchem-2177	221	33	%	%	NOUN
eurjchem-2177	221	34	as	as	SCONJ
eurjchem-2177	221	35	shown	show	VERB
eurjchem-2177	221	36	in	in	ADP
eurjchem-2177	221	37	figure	figure	NOUN
eurjchem-2177	221	38	16	16	NUM
eurjchem-2177	221	39	at	at	ADP
eurjchem-2177	221	40	251.36	251.36	NUM
eurjchem-2177	221	41	nm	nm	NOUN
eurjchem-2177	221	42	,	,	PUNCT
eurjchem-2177	221	43	4.9324	4.9324	NUM
eurjchem-2177	221	44	ev	ev	ADP
eurjchem-2177	221	45	being	be	AUX
eurjchem-2177	221	46	the	the	DET
eurjchem-2177	221	47	excitation	excitation	NOUN
eurjchem-2177	221	48	energy	energy	NOUN
eurjchem-2177	221	49	.	.	PUNCT
eurjchem-2177	222	1	the	the	DET
eurjchem-2177	222	2	absorptions	absorption	NOUN
eurjchem-2177	222	3	calculated	calculate	VERB
eurjchem-2177	222	4	around	around	ADP
eurjchem-2177	222	5	200	200	NUM
eurjchem-2177	222	6	nm	nm	NOUN
eurjchem-2177	222	7	with	with	ADP
eurjchem-2177	222	8	higher	high	ADJ
eurjchem-2177	222	9	probability	probability	NOUN
eurjchem-2177	222	10	values	value	NOUN
eurjchem-2177	222	11	indicated	indicate	VERB
eurjchem-2177	222	12	by	by	ADP
eurjchem-2177	222	13	f	f	PROPN
eurjchem-2177	222	14	values	value	NOUN
eurjchem-2177	222	15	of	of	ADP
eurjchem-2177	222	16	0.6868	0.6868	NUM
eurjchem-2177	222	17	and	and	CCONJ
eurjchem-2177	222	18	0.1836	0.1836	NUM
eurjchem-2177	222	19	fall	fall	NOUN
eurjchem-2177	222	20	in	in	ADP
eurjchem-2177	222	21	the	the	DET
eurjchem-2177	222	22	vacuum	vacuum	NOUN
eurjchem-2177	222	23	uv	uv	NOUN
eurjchem-2177	222	24	region	region	NOUN
eurjchem-2177	222	25	are	be	AUX
eurjchem-2177	222	26	absent	absent	ADJ
eurjchem-2177	222	27	in	in	ADP
eurjchem-2177	222	28	the	the	DET
eurjchem-2177	222	29	experimentally	experimentally	ADV
eurjchem-2177	222	30	recorded	record	VERB
eurjchem-2177	222	31	spectrum	spectrum	NOUN
eurjchem-2177	222	32	.	.	PUNCT
eurjchem-2177	223	1	krishnan	krishnan	PROPN
eurjchem-2177	223	2	et	et	PROPN
eurjchem-2177	223	3	al	al	PROPN
eurjchem-2177	223	4	.	.	PUNCT
eurjchem-2177	223	5	/	/	SYM
eurjchem-2177	223	6	european	european	PROPN
eurjchem-2177	223	7	journal	journal	PROPN
eurjchem-2177	223	8	of	of	ADP
eurjchem-2177	223	9	chemistry	chemistry	NOUN
eurjchem-2177	223	10	12	12	NUM
eurjchem-2177	223	11	(	(	PUNCT
eurjchem-2177	223	12	4	4	NUM
eurjchem-2177	223	13	)	)	PUNCT
eurjchem-2177	223	14	(	(	PUNCT
eurjchem-2177	223	15	2021	2021	NUM
eurjchem-2177	223	16	)	)	PUNCT
eurjchem-2177	223	17	419	419	NUM
eurjchem-2177	223	18	-	-	SYM
eurjchem-2177	223	19	431	431	NUM
eurjchem-2177	223	20	429	429	NUM
eurjchem-2177	223	21	2021	2021	NUM
eurjchem-2177	223	22	–	–	PUNCT
eurjchem-2177	223	23	european	european	ADJ
eurjchem-2177	223	24	journal	journal	NOUN
eurjchem-2177	223	25	of	of	ADP
eurjchem-2177	223	26	chemistry	chemistry	NOUN
eurjchem-2177	223	27	–	–	PUNCT
eurjchem-2177	223	28	cc	cc	NOUN
eurjchem-2177	223	29	by	by	ADP
eurjchem-2177	223	30	nc	nc	PROPN
eurjchem-2177	223	31	–	–	PUNCT
eurjchem-2177	223	32	doi	doi	NOUN
eurjchem-2177	223	33	:	:	PUNCT
eurjchem-2177	223	34	10.5155	10.5155	NUM
eurjchem-2177	223	35	/	/	SYM
eurjchem-2177	223	36	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	223	37	-	-	PUNCT
eurjchem-2177	223	38	431.2177	431.2177	NUM
eurjchem-2177	223	39	figure	figure	NOUN
eurjchem-2177	223	40	16	16	NUM
eurjchem-2177	223	41	.	.	PUNCT
eurjchem-2177	224	1	homo	homo	NOUN
eurjchem-2177	224	2	-	-	PUNCT
eurjchem-2177	224	3	lumo	lumo	NOUN
eurjchem-2177	224	4	transition	transition	NOUN
eurjchem-2177	224	5	based	base	VERB
eurjchem-2177	224	6	on	on	ADP
eurjchem-2177	224	7	ntos	nto	NOUN
eurjchem-2177	224	8	.	.	PUNCT
eurjchem-2177	225	1	figure	figure	VERB
eurjchem-2177	225	2	17	17	NUM
eurjchem-2177	225	3	.	.	PUNCT
eurjchem-2177	226	1	homo	homo	NOUN
eurjchem-2177	226	2	-	-	PUNCT
eurjchem-2177	226	3	lumo	lumo	NOUN
eurjchem-2177	226	4	structures	structure	NOUN
eurjchem-2177	226	5	of	of	ADP
eurjchem-2177	226	6	psma	psma	NOUN
eurjchem-2177	226	7	.	.	PUNCT
eurjchem-2177	227	1	3.5	3.5	NUM
eurjchem-2177	227	2	.	.	PUNCT
eurjchem-2177	227	3	frontier	frontier	NOUN
eurjchem-2177	227	4	molecular	molecular	ADJ
eurjchem-2177	227	5	orbital	orbital	ADJ
eurjchem-2177	227	6	studies	study	NOUN
eurjchem-2177	227	7	among	among	ADP
eurjchem-2177	227	8	the	the	DET
eurjchem-2177	227	9	molecular	molecular	ADJ
eurjchem-2177	227	10	orbitals	orbital	NOUN
eurjchem-2177	227	11	,	,	PUNCT
eurjchem-2177	227	12	homo	homo	NOUN
eurjchem-2177	227	13	is	be	AUX
eurjchem-2177	227	14	the	the	DET
eurjchem-2177	227	15	one	one	NUM
eurjchem-2177	227	16	with	with	ADP
eurjchem-2177	227	17	the	the	DET
eurjchem-2177	227	18	highest	high	ADJ
eurjchem-2177	227	19	eigen	eigen	NOUN
eurjchem-2177	227	20	value	value	NOUN
eurjchem-2177	227	21	and	and	CCONJ
eurjchem-2177	227	22	has	have	VERB
eurjchem-2177	227	23	a	a	DET
eurjchem-2177	227	24	pair	pair	NOUN
eurjchem-2177	227	25	/	/	SYM
eurjchem-2177	227	26	single	single	ADJ
eurjchem-2177	227	27	electron	electron	NOUN
eurjchem-2177	227	28	occupied	occupy	VERB
eurjchem-2177	227	29	in	in	ADP
eurjchem-2177	227	30	it	it	PRON
eurjchem-2177	227	31	and	and	CCONJ
eurjchem-2177	227	32	the	the	DET
eurjchem-2177	227	33	next	next	ADJ
eurjchem-2177	227	34	virtual	virtual	ADJ
eurjchem-2177	227	35	orbital	orbital	NOUN
eurjchem-2177	227	36	is	be	AUX
eurjchem-2177	227	37	the	the	DET
eurjchem-2177	227	38	lumo	lumo	NOUN
eurjchem-2177	227	39	.	.	PUNCT
eurjchem-2177	228	1	due	due	ADP
eurjchem-2177	228	2	to	to	ADP
eurjchem-2177	228	3	their	their	PRON
eurjchem-2177	228	4	position	position	NOUN
eurjchem-2177	228	5	,	,	PUNCT
eurjchem-2177	228	6	they	they	PRON
eurjchem-2177	228	7	are	be	AUX
eurjchem-2177	228	8	called	call	VERB
eurjchem-2177	228	9	frontier	frontier	NOUN
eurjchem-2177	228	10	molecular	molecular	ADJ
eurjchem-2177	228	11	orbitals	orbital	NOUN
eurjchem-2177	228	12	(	(	PUNCT
eurjchem-2177	228	13	fmos	fmos	PROPN
eurjchem-2177	228	14	)	)	PUNCT
eurjchem-2177	228	15	and	and	CCONJ
eurjchem-2177	228	16	play	play	VERB
eurjchem-2177	228	17	an	an	DET
eurjchem-2177	228	18	important	important	ADJ
eurjchem-2177	228	19	role	role	NOUN
eurjchem-2177	228	20	in	in	ADP
eurjchem-2177	228	21	the	the	DET
eurjchem-2177	228	22	chemical	chemical	NOUN
eurjchem-2177	228	23	stability	stability	NOUN
eurjchem-2177	228	24	,	,	PUNCT
eurjchem-2177	228	25	reactivity	reactivity	NOUN
eurjchem-2177	228	26	,	,	PUNCT
eurjchem-2177	228	27	charge	charge	NOUN
eurjchem-2177	228	28	transfer	transfer	NOUN
eurjchem-2177	228	29	process	process	NOUN
eurjchem-2177	228	30	,	,	PUNCT
eurjchem-2177	228	31	photoexcitation	photoexcitation	NOUN
eurjchem-2177	228	32	,	,	PUNCT
eurjchem-2177	228	33	magnetism	magnetism	NOUN
eurjchem-2177	228	34	,	,	PUNCT
eurjchem-2177	228	35	and	and	CCONJ
eurjchem-2177	228	36	molecular	molecular	ADJ
eurjchem-2177	228	37	electronics	electronic	NOUN
eurjchem-2177	228	38	of	of	ADP
eurjchem-2177	228	39	the	the	DET
eurjchem-2177	228	40	molecule	molecule	NOUN
eurjchem-2177	228	41	[	[	X
eurjchem-2177	228	42	50	50	NUM
eurjchem-2177	228	43	]	]	PUNCT
eurjchem-2177	228	44	.	.	PUNCT
eurjchem-2177	229	1	kohn	kohn	PROPN
eurjchem-2177	229	2	sham	sham	PROPN
eurjchem-2177	229	3	(	(	PUNCT
eurjchem-2177	229	4	ks	ks	NOUN
eurjchem-2177	229	5	)	)	PUNCT
eurjchem-2177	229	6	orbitals	orbital	NOUN
eurjchem-2177	229	7	of	of	ADP
eurjchem-2177	229	8	density	density	NOUN
eurjchem-2177	229	9	functional	functional	ADJ
eurjchem-2177	229	10	theory	theory	NOUN
eurjchem-2177	229	11	give	give	VERB
eurjchem-2177	229	12	a	a	DET
eurjchem-2177	229	13	theoretical	theoretical	ADJ
eurjchem-2177	229	14	and	and	CCONJ
eurjchem-2177	229	15	practical	practical	ADJ
eurjchem-2177	229	16	basis	basis	NOUN
eurjchem-2177	229	17	for	for	ADP
eurjchem-2177	229	18	a	a	DET
eurjchem-2177	229	19	better	well	ADJ
eurjchem-2177	229	20	qualitative	qualitative	ADJ
eurjchem-2177	229	21	understanding	understanding	NOUN
eurjchem-2177	229	22	of	of	ADP
eurjchem-2177	229	23	molecular	molecular	ADJ
eurjchem-2177	229	24	orbitals	orbital	NOUN
eurjchem-2177	229	25	[	[	X
eurjchem-2177	229	26	5153	5153	NUM
eurjchem-2177	229	27	]	]	PUNCT
eurjchem-2177	229	28	even	even	ADV
eurjchem-2177	229	29	though	though	SCONJ
eurjchem-2177	229	30	the	the	DET
eurjchem-2177	229	31	dft	dft	PROPN
eurjchem-2177	229	32	functional	functional	NOUN
eurjchem-2177	229	33	may	may	AUX
eurjchem-2177	229	34	not	not	PART
eurjchem-2177	229	35	evaluate	evaluate	VERB
eurjchem-2177	229	36	orbital	orbital	ADJ
eurjchem-2177	229	37	eigenvalues	eigenvalue	NOUN
eurjchem-2177	229	38	precisely	precisely	ADV
eurjchem-2177	229	39	.	.	PUNCT
eurjchem-2177	230	1	if	if	SCONJ
eurjchem-2177	230	2	the	the	DET
eurjchem-2177	230	3	homo	homo	NOUN
eurjchem-2177	230	4	-	-	PUNCT
eurjchem-2177	230	5	lumo	lumo	NOUN
eurjchem-2177	230	6	energy	energy	NOUN
eurjchem-2177	230	7	gap	gap	NOUN
eurjchem-2177	230	8	,	,	PUNCT
eurjchem-2177	230	9	namely	namely	ADV
eurjchem-2177	230	10	hleg	hleg	NOUN
eurjchem-2177	230	11	is	be	AUX
eurjchem-2177	230	12	small	small	ADJ
eurjchem-2177	230	13	,	,	PUNCT
eurjchem-2177	230	14	it	it	PRON
eurjchem-2177	230	15	indicates	indicate	VERB
eurjchem-2177	230	16	that	that	SCONJ
eurjchem-2177	230	17	there	there	PRON
eurjchem-2177	230	18	is	be	VERB
eurjchem-2177	230	19	more	more	ADV
eurjchem-2177	230	20	intramolecular	intramolecular	ADJ
eurjchem-2177	230	21	charge	charge	NOUN
eurjchem-2177	230	22	transfer	transfer	NOUN
eurjchem-2177	230	23	from	from	ADP
eurjchem-2177	230	24	the	the	DET
eurjchem-2177	230	25	electron	electron	NOUN
eurjchem-2177	230	26	-	-	PUNCT
eurjchem-2177	230	27	releasing	releasing	NOUN
eurjchem-2177	230	28	to	to	ADP
eurjchem-2177	230	29	the	the	DET
eurjchem-2177	230	30	electronaccepting	electronaccepte	VERB
eurjchem-2177	230	31	groups	group	NOUN
eurjchem-2177	230	32	through	through	ADP
eurjchem-2177	230	33	π	π	NOUN
eurjchem-2177	230	34	-	-	NOUN
eurjchem-2177	230	35	conjugation	conjugation	NOUN
eurjchem-2177	230	36	[	[	X
eurjchem-2177	230	37	54	54	NUM
eurjchem-2177	230	38	]	]	PUNCT
eurjchem-2177	230	39	.	.	PUNCT
eurjchem-2177	231	1	the	the	DET
eurjchem-2177	231	2	fact	fact	NOUN
eurjchem-2177	231	3	that	that	SCONJ
eurjchem-2177	231	4	chemical	chemical	ADJ
eurjchem-2177	231	5	stability	stability	NOUN
eurjchem-2177	231	6	is	be	AUX
eurjchem-2177	231	7	directly	directly	ADV
eurjchem-2177	231	8	proportional	proportional	ADJ
eurjchem-2177	231	9	to	to	ADP
eurjchem-2177	231	10	the	the	DET
eurjchem-2177	231	11	hleg	hleg	PROPN
eurjchem-2177	231	12	value	value	NOUN
eurjchem-2177	231	13	[	[	X
eurjchem-2177	231	14	55	55	NUM
eurjchem-2177	231	15	,	,	PUNCT
eurjchem-2177	231	16	56	56	NUM
eurjchem-2177	231	17	]	]	PUNCT
eurjchem-2177	231	18	has	have	AUX
eurjchem-2177	231	19	been	be	AUX
eurjchem-2177	231	20	used	use	VERB
eurjchem-2177	231	21	to	to	PART
eurjchem-2177	231	22	analyze	analyze	VERB
eurjchem-2177	231	23	bioactivity	bioactivity	NOUN
eurjchem-2177	231	24	in	in	ADP
eurjchem-2177	231	25	terms	term	NOUN
eurjchem-2177	231	26	of	of	ADP
eurjchem-2177	231	27	intramolecular	intramolecular	ADJ
eurjchem-2177	231	28	charge	charge	NOUN
eurjchem-2177	231	29	transfer	transfer	NOUN
eurjchem-2177	231	30	[	[	X
eurjchem-2177	231	31	57	57	NUM
eurjchem-2177	231	32	-	-	SYM
eurjchem-2177	231	33	59	59	NUM
eurjchem-2177	231	34	]	]	PUNCT
eurjchem-2177	231	35	.	.	PUNCT
eurjchem-2177	232	1	the	the	DET
eurjchem-2177	232	2	positive	positive	ADJ
eurjchem-2177	232	3	and	and	CCONJ
eurjchem-2177	232	4	negative	negative	ADJ
eurjchem-2177	232	5	parts	part	NOUN
eurjchem-2177	232	6	of	of	ADP
eurjchem-2177	232	7	the	the	DET
eurjchem-2177	232	8	64	64	NUM
eurjchem-2177	232	9	(	(	PUNCT
eurjchem-2177	232	10	homo	homo	NOUN
eurjchem-2177	232	11	)	)	PUNCT
eurjchem-2177	232	12	and	and	CCONJ
eurjchem-2177	232	13	65	65	NUM
eurjchem-2177	232	14	(	(	PUNCT
eurjchem-2177	232	15	lumo	lumo	ADJ
eurjchem-2177	232	16	)	)	PUNCT
eurjchem-2177	232	17	eigenvectors	eigenvector	NOUN
eurjchem-2177	232	18	and	and	CCONJ
eurjchem-2177	232	19	the	the	DET
eurjchem-2177	232	20	respective	respective	ADJ
eurjchem-2177	232	21	graphical	graphical	ADJ
eurjchem-2177	232	22	representtations	representtation	NOUN
eurjchem-2177	232	23	of	of	ADP
eurjchem-2177	232	24	the	the	DET
eurjchem-2177	232	25	combined	combine	VERB
eurjchem-2177	232	26	functions	function	NOUN
eurjchem-2177	232	27	with	with	ADP
eurjchem-2177	232	28	an	an	DET
eurjchem-2177	232	29	isovalue	isovalue	NOUN
eurjchem-2177	232	30	of	of	ADP
eurjchem-2177	232	31	0.02	0.02	NUM
eurjchem-2177	232	32	are	be	AUX
eurjchem-2177	232	33	shown	show	VERB
eurjchem-2177	232	34	in	in	ADP
eurjchem-2177	232	35	figure	figure	NOUN
eurjchem-2177	232	36	17	17	NUM
eurjchem-2177	232	37	.	.	PUNCT
eurjchem-2177	233	1	inspection	inspection	NOUN
eurjchem-2177	233	2	of	of	ADP
eurjchem-2177	233	3	homo	homo	NOUN
eurjchem-2177	233	4	and	and	CCONJ
eurjchem-2177	233	5	lumo	lumo	NOUN
eurjchem-2177	233	6	surfaces	surface	NOUN
eurjchem-2177	233	7	indicates	indicate	VERB
eurjchem-2177	233	8	that	that	SCONJ
eurjchem-2177	233	9	aos	aos	PROPN
eurjchem-2177	233	10	from	from	ADP
eurjchem-2177	233	11	the	the	DET
eurjchem-2177	233	12	heavy	heavy	ADJ
eurjchem-2177	233	13	atoms	atom	NOUN
eurjchem-2177	233	14	of	of	ADP
eurjchem-2177	233	15	benzene	benzene	NOUN
eurjchem-2177	233	16	skeleton	skeleton	NOUN
eurjchem-2177	233	17	contribute	contribute	VERB
eurjchem-2177	233	18	in	in	ADP
eurjchem-2177	233	19	the	the	DET
eurjchem-2177	233	20	construct	construct	NOUN
eurjchem-2177	233	21	of	of	ADP
eurjchem-2177	233	22	π	π	PROPN
eurjchem-2177	233	23	-	-	PUNCT
eurjchem-2177	233	24	type	type	NOUN
eurjchem-2177	233	25	homo	homo	NOUN
eurjchem-2177	233	26	and	and	CCONJ
eurjchem-2177	233	27	π*-lumo	π*-lumo	NOUN
eurjchem-2177	233	28	.	.	PUNCT
eurjchem-2177	234	1	as	as	SCONJ
eurjchem-2177	234	2	the	the	DET
eurjchem-2177	234	3	energy	energy	NOUN
eurjchem-2177	234	4	gap	gap	NOUN
eurjchem-2177	234	5	(	(	PUNCT
eurjchem-2177	234	6	hleg	hleg	NOUN
eurjchem-2177	234	7	of	of	ADP
eurjchem-2177	234	8	5.3182	5.3182	NUM
eurjchem-2177	234	9	ev	ev	NOUN
eurjchem-2177	234	10	)	)	PUNCT
eurjchem-2177	234	11	between	between	ADP
eurjchem-2177	234	12	these	these	DET
eurjchem-2177	234	13	two	two	NUM
eurjchem-2177	234	14	fmos	fmos	NOUN
eurjchem-2177	234	15	is	be	AUX
eurjchem-2177	234	16	of	of	ADP
eurjchem-2177	234	17	considerable	considerable	ADJ
eurjchem-2177	234	18	magnitude	magnitude	NOUN
eurjchem-2177	234	19	,	,	PUNCT
eurjchem-2177	234	20	psma	psma	PROPN
eurjchem-2177	234	21	seems	seem	VERB
eurjchem-2177	234	22	to	to	PART
eurjchem-2177	234	23	be	be	AUX
eurjchem-2177	234	24	a	a	DET
eurjchem-2177	234	25	thermodynamically	thermodynamically	ADV
eurjchem-2177	234	26	stable	stable	ADJ
eurjchem-2177	234	27	species	specie	NOUN
eurjchem-2177	234	28	with	with	ADP
eurjchem-2177	234	29	a	a	DET
eurjchem-2177	234	30	subdued	subdue	VERB
eurjchem-2177	234	31	chemical	chemical	NOUN
eurjchem-2177	234	32	activity	activity	NOUN
eurjchem-2177	234	33	[	[	X
eurjchem-2177	234	34	59	59	NUM
eurjchem-2177	234	35	]	]	PUNCT
eurjchem-2177	234	36	.	.	PUNCT
eurjchem-2177	235	1	the	the	DET
eurjchem-2177	235	2	chemical	chemical	ADJ
eurjchem-2177	235	3	reaction	reaction	NOUN
eurjchem-2177	235	4	of	of	ADP
eurjchem-2177	235	5	a	a	DET
eurjchem-2177	235	6	substrate	substrate	NOUN
eurjchem-2177	235	7	psma	psma	NOUN
eurjchem-2177	235	8	with	with	ADP
eurjchem-2177	235	9	an	an	DET
eurjchem-2177	235	10	electrophile	electrophile	NOUN
eurjchem-2177	235	11	or	or	CCONJ
eurjchem-2177	235	12	a	a	DET
eurjchem-2177	235	13	nucleophile	nucleophile	NOUN
eurjchem-2177	235	14	is	be	AUX
eurjchem-2177	235	15	largely	largely	ADV
eurjchem-2177	235	16	controlled	control	VERB
eurjchem-2177	235	17	by	by	ADP
eurjchem-2177	235	18	the	the	DET
eurjchem-2177	235	19	hmo	hmo	PROPN
eurjchem-2177	235	20	-	-	PUNCT
eurjchem-2177	235	21	lumo	lumo	NOUN
eurjchem-2177	235	22	energies	energy	NOUN
eurjchem-2177	235	23	of	of	ADP
eurjchem-2177	235	24	the	the	DET
eurjchem-2177	235	25	participating	participate	VERB
eurjchem-2177	235	26	species	specie	NOUN
eurjchem-2177	235	27	in	in	ADP
eurjchem-2177	235	28	addition	addition	NOUN
eurjchem-2177	235	29	to	to	ADP
eurjchem-2177	235	30	their	their	PRON
eurjchem-2177	235	31	symmetry	symmetry	NOUN
eurjchem-2177	235	32	,	,	PUNCT
eurjchem-2177	235	33	i.e.	i.e.	X
eurjchem-2177	235	34	,	,	PUNCT
eurjchem-2177	235	35	an	an	DET
eurjchem-2177	235	36	electrophilic	electrophilic	ADJ
eurjchem-2177	235	37	reaction	reaction	NOUN
eurjchem-2177	235	38	is	be	AUX
eurjchem-2177	235	39	favored	favor	VERB
eurjchem-2177	235	40	if	if	SCONJ
eurjchem-2177	235	41	the	the	DET
eurjchem-2177	235	42	reagent	reagent	NOUN
eurjchem-2177	235	43	’s	’s	PART
eurjchem-2177	235	44	lumo	lumo	NOUN
eurjchem-2177	235	45	lies	lie	VERB
eurjchem-2177	235	46	nearer	near	ADV
eurjchem-2177	235	47	to	to	ADP
eurjchem-2177	235	48	the	the	DET
eurjchem-2177	235	49	high	high	ADJ
eurjchem-2177	235	50	homo	homo	NOUN
eurjchem-2177	235	51	of	of	ADP
eurjchem-2177	235	52	the	the	DET
eurjchem-2177	235	53	substrate	substrate	NOUN
eurjchem-2177	235	54	while	while	SCONJ
eurjchem-2177	235	55	latter	latter	ADJ
eurjchem-2177	235	56	’s	’s	PART
eurjchem-2177	235	57	lumo	lumo	ADJ
eurjchem-2177	235	58	proximity	proximity	NOUN
eurjchem-2177	235	59	to	to	ADP
eurjchem-2177	235	60	the	the	DET
eurjchem-2177	235	61	reagent	reagent	NOUN
eurjchem-2177	235	62	’s	’s	PART
eurjchem-2177	235	63	homo	homo	NOUN
eurjchem-2177	235	64	enhances	enhance	VERB
eurjchem-2177	235	65	nucleophilic	nucleophilic	ADJ
eurjchem-2177	235	66	reaction	reaction	NOUN
eurjchem-2177	235	67	,	,	PUNCT
eurjchem-2177	235	68	provided	provide	VERB
eurjchem-2177	235	69	thermodynamic	thermodynamic	ADJ
eurjchem-2177	235	70	stability	stability	NOUN
eurjchem-2177	235	71	of	of	ADP
eurjchem-2177	235	72	the	the	DET
eurjchem-2177	235	73	substrate	substrate	NOUN
eurjchem-2177	235	74	is	be	AUX
eurjchem-2177	235	75	not	not	PART
eurjchem-2177	235	76	favored	favor	VERB
eurjchem-2177	235	77	[	[	PUNCT
eurjchem-2177	235	78	59	59	NUM
eurjchem-2177	235	79	]	]	PUNCT
eurjchem-2177	235	80	.	.	PUNCT
eurjchem-2177	236	1	4	4	X
eurjchem-2177	236	2	.	.	X
eurjchem-2177	236	3	conclusions	conclusion	NOUN
eurjchem-2177	236	4	4-((pyrrolidin-1	4-((pyrrolidin-1	NOUN
eurjchem-2177	236	5	-	-	PUNCT
eurjchem-2177	236	6	ylsulfonyl	ylsulfonyl	NOUN
eurjchem-2177	236	7	)	)	PUNCT
eurjchem-2177	236	8	methyl	methyl	NOUN
eurjchem-2177	236	9	)	)	PUNCT
eurjchem-2177	236	10	aniline	aniline	NOUN
eurjchem-2177	236	11	(	(	PUNCT
eurjchem-2177	236	12	psma	psma	PROPN
eurjchem-2177	236	13	)	)	PUNCT
eurjchem-2177	236	14	was	be	AUX
eurjchem-2177	236	15	crystalized	crystalize	VERB
eurjchem-2177	236	16	and	and	CCONJ
eurjchem-2177	236	17	its	its	PRON
eurjchem-2177	236	18	structural	structural	ADJ
eurjchem-2177	236	19	features	feature	NOUN
eurjchem-2177	236	20	were	be	AUX
eurjchem-2177	236	21	analyzed	analyze	VERB
eurjchem-2177	236	22	including	include	VERB
eurjchem-2177	236	23	the	the	DET
eurjchem-2177	236	24	various	various	ADJ
eurjchem-2177	236	25	strong	strong	ADJ
eurjchem-2177	236	26	and	and	CCONJ
eurjchem-2177	236	27	weak	weak	ADJ
eurjchem-2177	236	28	intermolecular	intermolecular	ADJ
eurjchem-2177	236	29	interactions	interaction	NOUN
eurjchem-2177	236	30	resulting	result	VERB
eurjchem-2177	236	31	in	in	ADP
eurjchem-2177	236	32	its	its	PRON
eurjchem-2177	236	33	supramolecular	supramolecular	ADJ
eurjchem-2177	236	34	architecture	architecture	NOUN
eurjchem-2177	236	35	.	.	PUNCT
eurjchem-2177	237	1	dft	dft	PROPN
eurjchem-2177	237	2	calculations	calculation	NOUN
eurjchem-2177	237	3	were	be	AUX
eurjchem-2177	237	4	performed	perform	VERB
eurjchem-2177	237	5	to	to	PART
eurjchem-2177	237	6	compare	compare	VERB
eurjchem-2177	237	7	the	the	DET
eurjchem-2177	237	8	experimental	experimental	ADJ
eurjchem-2177	237	9	and	and	CCONJ
eurjchem-2177	237	10	theoretically	theoretically	ADV
eurjchem-2177	237	11	calculated	calculate	VERB
eurjchem-2177	237	12	geometrical	geometrical	ADJ
eurjchem-2177	237	13	parameters	parameter	NOUN
eurjchem-2177	237	14	of	of	ADP
eurjchem-2177	237	15	the	the	DET
eurjchem-2177	237	16	molecule	molecule	NOUN
eurjchem-2177	237	17	and	and	CCONJ
eurjchem-2177	237	18	the	the	DET
eurjchem-2177	237	19	results	result	NOUN
eurjchem-2177	237	20	indicate	indicate	VERB
eurjchem-2177	237	21	a	a	DET
eurjchem-2177	237	22	good	good	ADJ
eurjchem-2177	237	23	correlation	correlation	NOUN
eurjchem-2177	237	24	.	.	PUNCT
eurjchem-2177	238	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	238	2	surface	surface	NOUN
eurjchem-2177	238	3	analysis	analysis	NOUN
eurjchem-2177	238	4	was	be	AUX
eurjchem-2177	238	5	carried	carry	VERB
eurjchem-2177	238	6	out	out	ADP
eurjchem-2177	238	7	and	and	CCONJ
eurjchem-2177	238	8	it	it	PRON
eurjchem-2177	238	9	was	be	AUX
eurjchem-2177	238	10	observed	observe	VERB
eurjchem-2177	238	11	that	that	SCONJ
eurjchem-2177	238	12	among	among	ADP
eurjchem-2177	238	13	the	the	DET
eurjchem-2177	238	14	various	various	ADJ
eurjchem-2177	238	15	intermolecular	intermolecular	ADJ
eurjchem-2177	238	16	interactions	interaction	NOUN
eurjchem-2177	238	17	,	,	PUNCT
eurjchem-2177	238	18	the	the	DET
eurjchem-2177	238	19	h···h	h···h	PROPN
eurjchem-2177	238	20	dispersive	dispersive	ADJ
eurjchem-2177	238	21	interactions	interaction	NOUN
eurjchem-2177	238	22	play	play	VERB
eurjchem-2177	238	23	a	a	DET
eurjchem-2177	238	24	major	major	ADJ
eurjchem-2177	238	25	role	role	NOUN
eurjchem-2177	238	26	apart	apart	ADV
eurjchem-2177	238	27	from	from	ADP
eurjchem-2177	238	28	the	the	DET
eurjchem-2177	238	29	other	other	ADJ
eurjchem-2177	238	30	interactions	interaction	NOUN
eurjchem-2177	238	31	for	for	ADP
eurjchem-2177	238	32	the	the	DET
eurjchem-2177	238	33	crystal	crystal	NOUN
eurjchem-2177	238	34	packing	packing	NOUN
eurjchem-2177	238	35	and	and	CCONJ
eurjchem-2177	238	36	the	the	DET
eurjchem-2177	238	37	energy	energy	NOUN
eurjchem-2177	238	38	frame	frame	NOUN
eurjchem-2177	238	39	work	work	NOUN
eurjchem-2177	238	40	had	have	AUX
eurjchem-2177	238	41	been	be	AUX
eurjchem-2177	238	42	studied	study	VERB
eurjchem-2177	238	43	.	.	PUNCT
eurjchem-2177	239	1	the	the	DET
eurjchem-2177	239	2	observed	observed	ADJ
eurjchem-2177	239	3	uv	uv	NOUN
eurjchem-2177	239	4	-	-	PUNCT
eurjchem-2177	239	5	visible	visible	ADJ
eurjchem-2177	239	6	spectrum	spectrum	NOUN
eurjchem-2177	239	7	was	be	AUX
eurjchem-2177	239	8	found	find	VERB
eurjchem-2177	239	9	to	to	PART
eurjchem-2177	239	10	be	be	AUX
eurjchem-2177	239	11	in	in	ADP
eurjchem-2177	239	12	fairly	fairly	ADV
eurjchem-2177	239	13	good	good	ADJ
eurjchem-2177	239	14	/	/	SYM
eurjchem-2177	239	15	satisfactory	satisfactory	ADJ
eurjchem-2177	239	16	agreement	agreement	NOUN
eurjchem-2177	239	17	with	with	ADP
eurjchem-2177	239	18	the	the	DET
eurjchem-2177	239	19	one	one	NOUN
eurjchem-2177	239	20	theoretically	theoretically	ADV
eurjchem-2177	239	21	simulated	simulate	VERB
eurjchem-2177	239	22	by	by	ADP
eurjchem-2177	239	23	homo	homo	ADJ
eurjchem-2177	239	24	-	-	PUNCT
eurjchem-2177	239	25	lumo	lumo	NOUN
eurjchem-2177	239	26	calculations	calculation	NOUN
eurjchem-2177	239	27	.	.	PUNCT
eurjchem-2177	240	1	the	the	DET
eurjchem-2177	240	2	results	result	NOUN
eurjchem-2177	240	3	obtained	obtain	VERB
eurjchem-2177	240	4	may	may	AUX
eurjchem-2177	240	5	stimulate	stimulate	VERB
eurjchem-2177	240	6	further	further	ADJ
eurjchem-2177	240	7	interest	interest	NOUN
eurjchem-2177	240	8	on	on	ADP
eurjchem-2177	240	9	psma	psma	NOUN
eurjchem-2177	240	10	and	and	CCONJ
eurjchem-2177	240	11	related	relate	VERB
eurjchem-2177	240	12	compounds	compound	NOUN
eurjchem-2177	240	13	for	for	ADP
eurjchem-2177	240	14	future	future	ADJ
eurjchem-2177	240	15	experimental	experimental	ADJ
eurjchem-2177	240	16	and	and	CCONJ
eurjchem-2177	240	17	theoretical	theoretical	ADJ
eurjchem-2177	240	18	investigations	investigation	NOUN
eurjchem-2177	240	19	.	.	PUNCT
eurjchem-2177	241	1	acknowledgements	acknowledgement	NOUN
eurjchem-2177	241	2	the	the	DET
eurjchem-2177	241	3	authors	author	NOUN
eurjchem-2177	241	4	thank	thank	VERB
eurjchem-2177	241	5	the	the	DET
eurjchem-2177	241	6	periyar	periyar	PROPN
eurjchem-2177	241	7	maniammai	maniammai	PROPN
eurjchem-2177	241	8	institute	institute	PROPN
eurjchem-2177	241	9	of	of	ADP
eurjchem-2177	241	10	science	science	NOUN
eurjchem-2177	241	11	and	and	CCONJ
eurjchem-2177	241	12	technology	technology	NOUN
eurjchem-2177	241	13	,	,	PUNCT
eurjchem-2177	241	14	vallam	vallam	NOUN
eurjchem-2177	241	15	,	,	PUNCT
eurjchem-2177	241	16	thanjavur-613403	thanjavur-613403	NOUN
eurjchem-2177	241	17	,	,	PUNCT
eurjchem-2177	241	18	tamilnadu	tamilnadu	ADJ
eurjchem-2177	241	19	,	,	PUNCT
eurjchem-2177	241	20	india	india	PROPN
eurjchem-2177	241	21	for	for	ADP
eurjchem-2177	241	22	providing	provide	VERB
eurjchem-2177	241	23	the	the	DET
eurjchem-2177	241	24	research	research	NOUN
eurjchem-2177	241	25	facilities	facility	NOUN
eurjchem-2177	241	26	for	for	ADP
eurjchem-2177	241	27	this	this	DET
eurjchem-2177	241	28	work	work	NOUN
eurjchem-2177	241	29	,	,	PUNCT
eurjchem-2177	241	30	sophisticated	sophisticated	ADJ
eurjchem-2177	241	31	analytical	analytical	ADJ
eurjchem-2177	241	32	instrument	instrument	NOUN
eurjchem-2177	241	33	facility	facility	NOUN
eurjchem-2177	241	34	,	,	PUNCT
eurjchem-2177	241	35	indian	indian	PROPN
eurjchem-2177	241	36	institute	institute	PROPN
eurjchem-2177	241	37	of	of	ADP
eurjchem-2177	241	38	technology	technology	PROPN
eurjchem-2177	241	39	madras	madras	PROPN
eurjchem-2177	241	40	,	,	PUNCT
eurjchem-2177	241	41	chennai-600036	chennai-600036	NOUN
eurjchem-2177	241	42	,	,	PUNCT
eurjchem-2177	241	43	tamilnadu	tamilnadu	NOUN
eurjchem-2177	241	44	,	,	PUNCT
eurjchem-2177	241	45	india	india	PROPN
eurjchem-2177	241	46	for	for	ADP
eurjchem-2177	241	47	the	the	DET
eurjchem-2177	241	48	x	x	NOUN
eurjchem-2177	241	49	-	-	NOUN
eurjchem-2177	241	50	ray	ray	NOUN
eurjchem-2177	241	51	,	,	PUNCT
eurjchem-2177	241	52	orchid	orchid	PROPN
eurjchem-2177	241	53	pharmaceuticals	pharmaceuticals	PROPN
eurjchem-2177	241	54	ltd	ltd	PROPN
eurjchem-2177	241	55	,	,	PUNCT
eurjchem-2177	241	56	chennai	chennai	PROPN
eurjchem-2177	241	57	,	,	PUNCT
eurjchem-2177	241	58	tamilnadu	tamilnadu	NOUN
eurjchem-2177	241	59	,	,	PUNCT
eurjchem-2177	241	60	india	india	PROPN
eurjchem-2177	241	61	for	for	ADP
eurjchem-2177	241	62	uv	uv	PROPN
eurjchem-2177	241	63	spectral	spectral	ADJ
eurjchem-2177	241	64	data	datum	NOUN
eurjchem-2177	241	65	collection	collection	NOUN
eurjchem-2177	241	66	and	and	CCONJ
eurjchem-2177	241	67	prof	prof	PROPN
eurjchem-2177	241	68	.	.	PUNCT
eurjchem-2177	242	1	a.	a.	PROPN
eurjchem-2177	242	2	ramakrishnan	ramakrishnan	PROPN
eurjchem-2177	242	3	(	(	PUNCT
eurjchem-2177	242	4	rtd	rtd	PROPN
eurjchem-2177	242	5	)	)	PUNCT
eurjchem-2177	242	6	,	,	PUNCT
eurjchem-2177	242	7	rajah	rajah	VERB
eurjchem-2177	242	8	serfoji	serfoji	ADJ
eurjchem-2177	242	9	government	government	NOUN
eurjchem-2177	242	10	college	college	NOUN
eurjchem-2177	242	11	,	,	PUNCT
eurjchem-2177	242	12	thanjavur	thanjavur	NOUN
eurjchem-2177	242	13	613005	613005	NUM
eurjchem-2177	242	14	,	,	PUNCT
eurjchem-2177	242	15	tamil	tamil	PROPN
eurjchem-2177	242	16	nadu	nadu	PROPN
eurjchem-2177	242	17	,	,	PUNCT
eurjchem-2177	242	18	india	india	PROPN
eurjchem-2177	242	19	for	for	ADP
eurjchem-2177	242	20	the	the	DET
eurjchem-2177	242	21	spelling	spelling	NOUN
eurjchem-2177	242	22	,	,	PUNCT
eurjchem-2177	242	23	grammar	grammar	NOUN
eurjchem-2177	242	24	and	and	CCONJ
eurjchem-2177	242	25	english	english	ADJ
eurjchem-2177	242	26	correction	correction	NOUN
eurjchem-2177	242	27	of	of	ADP
eurjchem-2177	242	28	the	the	DET
eurjchem-2177	242	29	manuscript	manuscript	NOUN
eurjchem-2177	242	30	.	.	PUNCT
eurjchem-2177	243	1	430	430	NUM
eurjchem-2177	243	2	krishnan	krishnan	PROPN
eurjchem-2177	243	3	et	et	PROPN
eurjchem-2177	243	4	al	al	PROPN
eurjchem-2177	243	5	.	.	PUNCT
eurjchem-2177	243	6	/	/	SYM
eurjchem-2177	243	7	european	european	PROPN
eurjchem-2177	243	8	journal	journal	PROPN
eurjchem-2177	243	9	of	of	ADP
eurjchem-2177	243	10	chemistry	chemistry	NOUN
eurjchem-2177	243	11	12	12	NUM
eurjchem-2177	243	12	(	(	PUNCT
eurjchem-2177	243	13	4	4	NUM
eurjchem-2177	243	14	)	)	PUNCT
eurjchem-2177	243	15	(	(	PUNCT
eurjchem-2177	243	16	2021	2021	NUM
eurjchem-2177	243	17	)	)	PUNCT
eurjchem-2177	243	18	419	419	NUM
eurjchem-2177	243	19	-	-	SYM
eurjchem-2177	243	20	431	431	NUM
eurjchem-2177	243	21	2021	2021	NUM
eurjchem-2177	243	22	–	–	PUNCT
eurjchem-2177	243	23	european	european	ADJ
eurjchem-2177	243	24	journal	journal	NOUN
eurjchem-2177	243	25	of	of	ADP
eurjchem-2177	243	26	chemistry	chemistry	NOUN
eurjchem-2177	243	27	–	–	PUNCT
eurjchem-2177	243	28	cc	cc	NOUN
eurjchem-2177	243	29	by	by	ADP
eurjchem-2177	243	30	nc	nc	PROPN
eurjchem-2177	243	31	–	–	PUNCT
eurjchem-2177	243	32	doi	doi	NOUN
eurjchem-2177	243	33	:	:	PUNCT
eurjchem-2177	243	34	10.5155	10.5155	NUM
eurjchem-2177	243	35	/	/	SYM
eurjchem-2177	243	36	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	243	37	-	-	ADJ
eurjchem-2177	243	38	431.2177	431.2177	NUM
eurjchem-2177	243	39	supporting	support	VERB
eurjchem-2177	243	40	information	information	NOUN
eurjchem-2177	243	41	ccdc-2100572	ccdc-2100572	ADJ
eurjchem-2177	243	42	contains	contain	VERB
eurjchem-2177	243	43	the	the	DET
eurjchem-2177	243	44	supplementary	supplementary	ADJ
eurjchem-2177	243	45	crystallographic	crystallographic	ADJ
eurjchem-2177	243	46	data	datum	NOUN
eurjchem-2177	243	47	for	for	ADP
eurjchem-2177	243	48	this	this	DET
eurjchem-2177	243	49	paper	paper	NOUN
eurjchem-2177	243	50	.	.	PUNCT
eurjchem-2177	244	1	these	these	DET
eurjchem-2177	244	2	data	datum	NOUN
eurjchem-2177	244	3	can	can	AUX
eurjchem-2177	244	4	be	be	AUX
eurjchem-2177	244	5	obtained	obtain	VERB
eurjchem-2177	244	6	free	free	ADJ
eurjchem-2177	244	7	of	of	ADP
eurjchem-2177	244	8	charge	charge	NOUN
eurjchem-2177	244	9	via	via	ADP
eurjchem-2177	244	10	www.ccdc.cam.ac.uk/data_request/cif	www.ccdc.cam.ac.uk/data_request/cif	NOUN
eurjchem-2177	244	11	,	,	PUNCT
eurjchem-2177	244	12	or	or	CCONJ
eurjchem-2177	244	13	by	by	ADP
eurjchem-2177	244	14	emailing	email	VERB
eurjchem-2177	244	15	data_request@ccdc.cam.ac.uk	data_request@ccdc.cam.ac.uk	PROPN
eurjchem-2177	244	16	,	,	PUNCT
eurjchem-2177	244	17	or	or	CCONJ
eurjchem-2177	244	18	by	by	ADP
eurjchem-2177	244	19	contacting	contact	VERB
eurjchem-2177	244	20	the	the	DET
eurjchem-2177	244	21	cambridge	cambridge	PROPN
eurjchem-2177	244	22	crystallographic	crystallographic	PROPN
eurjchem-2177	244	23	data	data	PROPN
eurjchem-2177	244	24	centre	centre	NOUN
eurjchem-2177	244	25	,	,	PUNCT
eurjchem-2177	244	26	12	12	NUM
eurjchem-2177	244	27	union	union	NOUN
eurjchem-2177	244	28	road	road	NOUN
eurjchem-2177	244	29	,	,	PUNCT
eurjchem-2177	244	30	cambridge	cambridge	PROPN
eurjchem-2177	244	31	cb2	cb2	PROPN
eurjchem-2177	244	32	1ez	1ez	PROPN
eurjchem-2177	244	33	,	,	PUNCT
eurjchem-2177	244	34	uk	uk	PROPN
eurjchem-2177	244	35	;	;	PUNCT
eurjchem-2177	244	36	fax	fax	NOUN
eurjchem-2177	244	37	:	:	PUNCT
eurjchem-2177	244	38	+44(0)1223	+44(0)1223	PROPN
eurjchem-2177	244	39	-	-	PUNCT
eurjchem-2177	244	40	336033	336033	NUM
eurjchem-2177	244	41	.	.	PUNCT
eurjchem-2177	245	1	disclosure	disclosure	NOUN
eurjchem-2177	245	2	statement	statement	NOUN
eurjchem-2177	245	3	conflict	conflict	NOUN
eurjchem-2177	245	4	of	of	ADP
eurjchem-2177	245	5	interest	interest	NOUN
eurjchem-2177	245	6	:	:	PUNCT
eurjchem-2177	245	7	the	the	DET
eurjchem-2177	245	8	authors	author	NOUN
eurjchem-2177	245	9	declare	declare	VERB
eurjchem-2177	245	10	that	that	SCONJ
eurjchem-2177	245	11	they	they	PRON
eurjchem-2177	245	12	have	have	VERB
eurjchem-2177	245	13	no	no	DET
eurjchem-2177	245	14	conflict	conflict	NOUN
eurjchem-2177	245	15	of	of	ADP
eurjchem-2177	245	16	interest	interest	NOUN
eurjchem-2177	245	17	.	.	PUNCT
eurjchem-2177	246	1	ethical	ethical	ADJ
eurjchem-2177	246	2	approval	approval	NOUN
eurjchem-2177	246	3	:	:	PUNCT
eurjchem-2177	247	1	all	all	DET
eurjchem-2177	247	2	ethical	ethical	ADJ
eurjchem-2177	247	3	guidelines	guideline	NOUN
eurjchem-2177	247	4	have	have	AUX
eurjchem-2177	247	5	been	be	AUX
eurjchem-2177	247	6	adhered	adhere	VERB
eurjchem-2177	247	7	.	.	PUNCT
eurjchem-2177	248	1	sample	sample	NOUN
eurjchem-2177	248	2	availability	availability	NOUN
eurjchem-2177	248	3	:	:	PUNCT
eurjchem-2177	248	4	samples	sample	NOUN
eurjchem-2177	248	5	of	of	ADP
eurjchem-2177	248	6	the	the	DET
eurjchem-2177	248	7	compounds	compound	NOUN
eurjchem-2177	248	8	are	be	AUX
eurjchem-2177	248	9	available	available	ADJ
eurjchem-2177	248	10	from	from	ADP
eurjchem-2177	248	11	the	the	DET
eurjchem-2177	248	12	author	author	NOUN
eurjchem-2177	248	13	.	.	PUNCT
eurjchem-2177	249	1	credit	credit	NOUN
eurjchem-2177	249	2	authorship	authorship	NOUN
eurjchem-2177	249	3	contribution	contribution	NOUN
eurjchem-2177	249	4	statement	statement	NOUN
eurjchem-2177	249	5	conceptualization	conceptualization	NOUN
eurjchem-2177	249	6	:	:	PUNCT
eurjchem-2177	249	7	sethuraman	sethuraman	NOUN
eurjchem-2177	249	8	velusamy	velusamy	PROPN
eurjchem-2177	249	9	,	,	PUNCT
eurjchem-2177	249	10	soundararajan	soundararajan	PROPN
eurjchem-2177	249	11	krishnan	krishnan	PROPN
eurjchem-2177	249	12	;	;	PUNCT
eurjchem-2177	249	13	methodology	methodology	NOUN
eurjchem-2177	249	14	:	:	PUNCT
eurjchem-2177	249	15	sethuraman	sethuraman	PROPN
eurjchem-2177	249	16	velusamy	velusamy	PROPN
eurjchem-2177	249	17	,	,	PUNCT
eurjchem-2177	249	18	ramalingam	ramalingam	ADJ
eurjchem-2177	249	19	marimuthu	marimuthu	NOUN
eurjchem-2177	249	20	;	;	PUNCT
eurjchem-2177	249	21	software	software	NOUN
eurjchem-2177	249	22	:	:	PUNCT
eurjchem-2177	249	23	thanigaimani	thanigaimani	PROPN
eurjchem-2177	249	24	kaliyaperumal	kaliyaperumal	PROPN
eurjchem-2177	249	25	,	,	PUNCT
eurjchem-2177	249	26	ramalingam	ramalingam	ADJ
eurjchem-2177	249	27	marimuthu	marimuthu	NOUN
eurjchem-2177	249	28	;	;	PUNCT
eurjchem-2177	249	29	validation	validation	NOUN
eurjchem-2177	249	30	:	:	PUNCT
eurjchem-2177	249	31	thanigaimani	thanigaimani	PROPN
eurjchem-2177	249	32	kaliyaperumal	kaliyaperumal	PROPN
eurjchem-2177	249	33	,	,	PUNCT
eurjchem-2177	249	34	ramalingam	ramalingam	ADJ
eurjchem-2177	249	35	marimuthu	marimuthu	NOUN
eurjchem-2177	249	36	;	;	PUNCT
eurjchem-2177	249	37	formal	formal	ADJ
eurjchem-2177	249	38	analysis	analysis	NOUN
eurjchem-2177	249	39	:	:	PUNCT
eurjchem-2177	249	40	soundararajan	soundararajan	PROPN
eurjchem-2177	249	41	krishnan	krishnan	PROPN
eurjchem-2177	249	42	,	,	PUNCT
eurjchem-2177	249	43	sethuraman	sethuraman	NOUN
eurjchem-2177	249	44	velusamy	velusamy	NOUN
eurjchem-2177	249	45	;	;	PUNCT
eurjchem-2177	249	46	investigation	investigation	NOUN
eurjchem-2177	249	47	:	:	PUNCT
eurjchem-2177	249	48	soundararajan	soundararajan	PROPN
eurjchem-2177	249	49	krishnan	krishnan	PROPN
eurjchem-2177	249	50	;	;	PUNCT
eurjchem-2177	249	51	data	datum	NOUN
eurjchem-2177	249	52	curation	curation	NOUN
eurjchem-2177	249	53	:	:	PUNCT
eurjchem-2177	249	54	soundararajan	soundararajan	PROPN
eurjchem-2177	249	55	krishnan	krishnan	PROPN
eurjchem-2177	249	56	;	;	PUNCT
eurjchem-2177	249	57	writing	write	VERB
eurjchem-2177	249	58	original	original	ADJ
eurjchem-2177	249	59	draft	draft	NOUN
eurjchem-2177	249	60	:	:	PUNCT
eurjchem-2177	249	61	soundararajan	soundararajan	PROPN
eurjchem-2177	249	62	krishnan	krishnan	PROPN
eurjchem-2177	249	63	,	,	PUNCT
eurjchem-2177	249	64	sethuraman	sethuraman	NOUN
eurjchem-2177	249	65	velusamy	velusamy	PROPN
eurjchem-2177	249	66	;	;	PUNCT
eurjchem-2177	249	67	writing	write	VERB
eurjchem-2177	249	68	review	review	NOUN
eurjchem-2177	249	69	and	and	CCONJ
eurjchem-2177	249	70	editing	editing	NOUN
eurjchem-2177	249	71	:	:	PUNCT
eurjchem-2177	249	72	sethuraman	sethuraman	NOUN
eurjchem-2177	249	73	velusamy	velusamy	PROPN
eurjchem-2177	249	74	,	,	PUNCT
eurjchem-2177	249	75	ramalingam	ramalingam	ADJ
eurjchem-2177	249	76	marimuthu	marimuthu	NOUN
eurjchem-2177	249	77	;	;	PUNCT
eurjchem-2177	249	78	visualization	visualization	NOUN
eurjchem-2177	249	79	:	:	PUNCT
eurjchem-2177	249	80	soundararajan	soundararajan	PROPN
eurjchem-2177	249	81	krishnan	krishnan	PROPN
eurjchem-2177	249	82	,	,	PUNCT
eurjchem-2177	249	83	ramalingam	ramalingam	NOUN
eurjchem-2177	249	84	marimuthu	marimuthu	NOUN
eurjchem-2177	249	85	;	;	PUNCT
eurjchem-2177	249	86	funding	funding	NOUN
eurjchem-2177	249	87	acquisition	acquisition	NOUN
eurjchem-2177	249	88	:	:	PUNCT
eurjchem-2177	249	89	no	no	DET
eurjchem-2177	249	90	funding	funding	NOUN
eurjchem-2177	249	91	from	from	ADP
eurjchem-2177	249	92	any	any	DET
eurjchem-2177	249	93	funding	funding	NOUN
eurjchem-2177	249	94	bodies	body	NOUN
eurjchem-2177	249	95	;	;	PUNCT
eurjchem-2177	249	96	supervision	supervision	NOUN
eurjchem-2177	249	97	:	:	PUNCT
eurjchem-2177	249	98	sethuraman	sethuraman	NOUN
eurjchem-2177	249	99	velusamy	velusamy	PROPN
eurjchem-2177	249	100	,	,	PUNCT
eurjchem-2177	249	101	ramalingam	ramalingam	ADJ
eurjchem-2177	249	102	marimuthu	marimuthu	NOUN
eurjchem-2177	249	103	;	;	PUNCT
eurjchem-2177	249	104	project	project	NOUN
eurjchem-2177	249	105	administration	administration	NOUN
eurjchem-2177	249	106	:	:	PUNCT
eurjchem-2177	249	107	soundararajan	soundararajan	PROPN
eurjchem-2177	249	108	krishnan	krishnan	PROPN
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eurjchem-2177	249	114	marimuthu	marimuthu	NOUN
eurjchem-2177	249	115	,	,	PUNCT
eurjchem-2177	249	116	sethuraman	sethuraman	NOUN
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eurjchem-2177	249	118	.	.	PUNCT
eurjchem-2177	250	1	orcid	orcid	PROPN
eurjchem-2177	250	2	soundararajan	soundararajan	PROPN
eurjchem-2177	250	3	krishnan	krishnan	PROPN
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eurjchem-2177	250	5	thanigaimani	thanigaimani	PROPN
eurjchem-2177	250	6	kaliyaperumal	kaliyaperumal	PROPN
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eurjchem-2177	250	8	ramalingam	ramalingam	NOUN
eurjchem-2177	250	9	marimuthu	marimuthu	NOUN
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eurjchem-2177	250	11	sethuraman	sethuraman	PROPN
eurjchem-2177	250	12	velusamy	velusamy	PROPN
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eurjchem-2177	250	14	references	reference	NOUN
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eurjchem-2177	250	16	1	1	NUM
eurjchem-2177	250	17	]	]	PUNCT
eurjchem-2177	250	18	.	.	PUNCT
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eurjchem-2177	251	2	,	,	PUNCT
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eurjchem-2177	251	8	,	,	PUNCT
eurjchem-2177	251	9	15	15	NUM
eurjchem-2177	251	10	,	,	PUNCT
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eurjchem-2177	251	12	.	.	PUNCT
eurjchem-2177	252	1	[	[	X
eurjchem-2177	252	2	2	2	NUM
eurjchem-2177	252	3	]	]	PUNCT
eurjchem-2177	252	4	.	.	PUNCT
eurjchem-2177	253	1	bentley	bentley	PROPN
eurjchem-2177	253	2	,	,	PUNCT
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eurjchem-2177	253	4	j.	j.	PROPN
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eurjchem-2177	253	6	.	.	PUNCT
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eurjchem-2177	254	2	.	.	PUNCT
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eurjchem-2177	255	2	.	.	PUNCT
eurjchem-2177	256	1	2009	2009	NUM
eurjchem-2177	256	2	,	,	PUNCT
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eurjchem-2177	256	4	(	(	PUNCT
eurjchem-2177	256	5	6	6	NUM
eurjchem-2177	256	6	)	)	PUNCT
eurjchem-2177	256	7	,	,	PUNCT
eurjchem-2177	257	1	775–786	775–786	NUM
eurjchem-2177	257	2	.	.	PUNCT
eurjchem-2177	258	1	[	[	X
eurjchem-2177	258	2	3	3	NUM
eurjchem-2177	258	3	]	]	PUNCT
eurjchem-2177	258	4	.	.	PUNCT
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eurjchem-2177	259	2	;	;	PUNCT
eurjchem-2177	259	3	rabiya	rabiya	PROPN
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eurjchem-2177	259	5	,	,	PUNCT
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eurjchem-2177	259	7	;	;	PUNCT
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eurjchem-2177	259	9	,	,	PUNCT
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eurjchem-2177	259	11	;	;	PUNCT
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eurjchem-2177	259	13	,	,	PUNCT
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eurjchem-2177	259	16	.	.	PUNCT
eurjchem-2177	260	1	j.	j.	PROPN
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eurjchem-2177	260	3	.	.	PUNCT
eurjchem-2177	261	1	chem	chem	PROPN
eurjchem-2177	261	2	.	.	PUNCT
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eurjchem-2177	262	2	,	,	PUNCT
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eurjchem-2177	262	4	(	(	PUNCT
eurjchem-2177	262	5	5	5	NUM
eurjchem-2177	262	6	)	)	PUNCT
eurjchem-2177	262	7	,	,	PUNCT
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eurjchem-2177	262	9	.	.	PUNCT
eurjchem-2177	263	1	[	[	X
eurjchem-2177	263	2	4	4	NUM
eurjchem-2177	263	3	]	]	PUNCT
eurjchem-2177	263	4	.	.	PUNCT
eurjchem-2177	264	1	iqbal	iqbal	PROPN
eurjchem-2177	264	2	,	,	PUNCT
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eurjchem-2177	264	4	;	;	PUNCT
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eurjchem-2177	264	6	,	,	PUNCT
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eurjchem-2177	264	8	;	;	PUNCT
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eurjchem-2177	264	17	;	;	PUNCT
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eurjchem-2177	264	19	,	,	PUNCT
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eurjchem-2177	264	21	;	;	PUNCT
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eurjchem-2177	264	23	,	,	PUNCT
eurjchem-2177	264	24	m.	m.	NOUN
eurjchem-2177	264	25	;	;	PUNCT
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eurjchem-2177	264	27	,	,	PUNCT
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eurjchem-2177	264	29	a.	a.	PROPN
eurjchem-2177	264	30	j.	j.	PROPN
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eurjchem-2177	264	32	.	.	PROPN
eurjchem-2177	264	33	chem	chem	PROPN
eurjchem-2177	264	34	.	.	PUNCT
eurjchem-2177	265	1	soc	soc	PROPN
eurjchem-2177	265	2	.	.	PUNCT
eurjchem-2177	266	1	2006	2006	NUM
eurjchem-2177	266	2	,	,	PUNCT
eurjchem-2177	266	3	53	53	NUM
eurjchem-2177	266	4	(	(	PUNCT
eurjchem-2177	266	5	3	3	NUM
eurjchem-2177	266	6	)	)	PUNCT
eurjchem-2177	266	7	,	,	PUNCT
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eurjchem-2177	267	2	.	.	PUNCT
eurjchem-2177	268	1	[	[	X
eurjchem-2177	268	2	5	5	NUM
eurjchem-2177	268	3	]	]	PUNCT
eurjchem-2177	268	4	.	.	PUNCT
eurjchem-2177	268	5	saingar	saingar	NOUN
eurjchem-2177	268	6	,	,	PUNCT
eurjchem-2177	268	7	s.	s.	PROPN
eurjchem-2177	268	8	;	;	PUNCT
eurjchem-2177	268	9	kumar	kumar	PROPN
eurjchem-2177	268	10	,	,	PUNCT
eurjchem-2177	268	11	r.	r.	PROPN
eurjchem-2177	268	12	;	;	PUNCT
eurjchem-2177	268	13	joshi	joshi	PROPN
eurjchem-2177	268	14	,	,	PUNCT
eurjchem-2177	268	15	y.	y.	PROPN
eurjchem-2177	268	16	c.	c.	PROPN
eurjchem-2177	268	17	med	med	PROPN
eurjchem-2177	268	18	.	.	PUNCT
eurjchem-2177	268	19	chem	chem	PROPN
eurjchem-2177	268	20	.	.	PUNCT
eurjchem-2177	269	1	res	re	NOUN
eurjchem-2177	269	2	.	.	PROPN
eurjchem-2177	270	1	2011	2011	NUM
eurjchem-2177	270	2	,	,	PUNCT
eurjchem-2177	270	3	20	20	NUM
eurjchem-2177	270	4	(	(	PUNCT
eurjchem-2177	270	5	7	7	NUM
eurjchem-2177	270	6	)	)	PUNCT
eurjchem-2177	270	7	,	,	PUNCT
eurjchem-2177	270	8	975	975	NUM
eurjchem-2177	270	9	–	–	PUNCT
eurjchem-2177	270	10	980	980	NUM
eurjchem-2177	270	11	.	.	PUNCT
eurjchem-2177	271	1	[	[	X
eurjchem-2177	271	2	6	6	NUM
eurjchem-2177	271	3	]	]	PUNCT
eurjchem-2177	271	4	.	.	PUNCT
eurjchem-2177	272	1	schreiber	schreiber	PROPN
eurjchem-2177	272	2	,	,	PUNCT
eurjchem-2177	272	3	k.	k.	PROPN
eurjchem-2177	272	4	j.	j.	PROPN
eurjchem-2177	272	5	;	;	PUNCT
eurjchem-2177	272	6	austin	austin	PROPN
eurjchem-2177	272	7	,	,	PUNCT
eurjchem-2177	272	8	r.	r.	PROPN
eurjchem-2177	272	9	s.	s.	PROPN
eurjchem-2177	272	10	;	;	PUNCT
eurjchem-2177	272	11	gong	gong	PROPN
eurjchem-2177	272	12	,	,	PUNCT
eurjchem-2177	272	13	y.	y.	PROPN
eurjchem-2177	272	14	;	;	PUNCT
eurjchem-2177	272	15	zhang	zhang	PROPN
eurjchem-2177	272	16	,	,	PUNCT
eurjchem-2177	272	17	j.	j.	PROPN
eurjchem-2177	272	18	;	;	PUNCT
eurjchem-2177	272	19	fung	fung	PROPN
eurjchem-2177	272	20	,	,	PUNCT
eurjchem-2177	272	21	p.	p.	PROPN
eurjchem-2177	272	22	;	;	PUNCT
eurjchem-2177	272	23	wang	wang	PROPN
eurjchem-2177	272	24	,	,	PUNCT
eurjchem-2177	272	25	p.	p.	PROPN
eurjchem-2177	272	26	w.	w.	PROPN
eurjchem-2177	272	27	;	;	PUNCT
eurjchem-2177	272	28	guttman	guttman	PROPN
eurjchem-2177	272	29	,	,	PUNCT
eurjchem-2177	272	30	d.	d.	PROPN
eurjchem-2177	272	31	s.	s.	PROPN
eurjchem-2177	272	32	;	;	PUNCT
eurjchem-2177	272	33	desveaux	desveaux	PROPN
eurjchem-2177	272	34	,	,	PUNCT
eurjchem-2177	272	35	d.	d.	PROPN
eurjchem-2177	272	36	bmc	bmc	PROPN
eurjchem-2177	272	37	plant	plant	NOUN
eurjchem-2177	272	38	biol	biol	PROPN
eurjchem-2177	272	39	.	.	PUNCT
eurjchem-2177	273	1	2012	2012	NUM
eurjchem-2177	273	2	,	,	PUNCT
eurjchem-2177	273	3	12	12	NUM
eurjchem-2177	273	4	(	(	PUNCT
eurjchem-2177	273	5	1	1	NUM
eurjchem-2177	273	6	)	)	PUNCT
eurjchem-2177	273	7	,	,	PUNCT
eurjchem-2177	273	8	226–235	226–235	NUM
eurjchem-2177	273	9	.	.	PUNCT
eurjchem-2177	274	1	[	[	X
eurjchem-2177	274	2	7	7	NUM
eurjchem-2177	274	3	]	]	PUNCT
eurjchem-2177	274	4	.	.	PUNCT
eurjchem-2177	275	1	shah	shah	PROPN
eurjchem-2177	275	2	,	,	PUNCT
eurjchem-2177	275	3	s.	s.	PROPN
eurjchem-2177	275	4	s.	s.	PROPN
eurjchem-2177	275	5	a.	a.	PROPN
eurjchem-2177	275	6	;	;	PUNCT
eurjchem-2177	275	7	rivera	rivera	PROPN
eurjchem-2177	275	8	,	,	PUNCT
eurjchem-2177	275	9	g.	g.	PROPN
eurjchem-2177	275	10	;	;	PUNCT
eurjchem-2177	275	11	ashfaq	ashfaq	NOUN
eurjchem-2177	275	12	,	,	PUNCT
eurjchem-2177	275	13	m.	m.	NOUN
eurjchem-2177	275	14	mini	mini	NOUN
eurjchem-2177	275	15	rev	rev	PROPN
eurjchem-2177	275	16	.	.	PROPN
eurjchem-2177	275	17	med	med	PROPN
eurjchem-2177	275	18	.	.	PROPN
eurjchem-2177	275	19	chem	chem	PROPN
eurjchem-2177	275	20	.	.	PUNCT
eurjchem-2177	276	1	2013	2013	NUM
eurjchem-2177	276	2	,	,	PUNCT
eurjchem-2177	276	3	13	13	NUM
eurjchem-2177	276	4	(	(	PUNCT
eurjchem-2177	276	5	1	1	NUM
eurjchem-2177	276	6	)	)	PUNCT
eurjchem-2177	276	7	,	,	PUNCT
eurjchem-2177	276	8	70–86	70–86	NUM
eurjchem-2177	276	9	.	.	PUNCT
eurjchem-2177	277	1	[	[	X
eurjchem-2177	277	2	8	8	NUM
eurjchem-2177	277	3	]	]	PUNCT
eurjchem-2177	277	4	.	.	PUNCT
eurjchem-2177	278	1	supuran	supuran	NOUN
eurjchem-2177	278	2	,	,	PUNCT
eurjchem-2177	278	3	c.	c.	PROPN
eurjchem-2177	278	4	t.	t.	PROPN
eurjchem-2177	278	5	curr	curr	PROPN
eurjchem-2177	278	6	.	.	PUNCT
eurjchem-2177	279	1	med	med	PROPN
eurjchem-2177	279	2	.	.	PROPN
eurjchem-2177	279	3	chem	chem	PROPN
eurjchem-2177	279	4	.	.	PUNCT
eurjchem-2177	280	1	2012	2012	NUM
eurjchem-2177	280	2	,	,	PUNCT
eurjchem-2177	280	3	19	19	NUM
eurjchem-2177	280	4	(	(	PUNCT
eurjchem-2177	280	5	6	6	NUM
eurjchem-2177	280	6	)	)	PUNCT
eurjchem-2177	280	7	,	,	PUNCT
eurjchem-2177	280	8	831–844	831–844	NUM
eurjchem-2177	280	9	.	.	PUNCT
eurjchem-2177	281	1	[	[	X
eurjchem-2177	281	2	9	9	NUM
eurjchem-2177	281	3	]	]	PUNCT
eurjchem-2177	281	4	.	.	PUNCT
eurjchem-2177	282	1	wulf	wulf	PROPN
eurjchem-2177	282	2	,	,	PUNCT
eurjchem-2177	282	3	n.	n.	PROPN
eurjchem-2177	282	4	r.	r.	PROPN
eurjchem-2177	282	5	;	;	PUNCT
eurjchem-2177	282	6	matuszewski	matuszewski	PROPN
eurjchem-2177	282	7	,	,	PUNCT
eurjchem-2177	282	8	k.	k.	PROPN
eurjchem-2177	282	9	a.	a.	PROPN
eurjchem-2177	282	10	am	am	PROPN
eurjchem-2177	282	11	.	.	PUNCT
eurjchem-2177	283	1	j.	j.	PROPN
eurjchem-2177	283	2	health	health	PROPN
eurjchem-2177	283	3	.	.	PUNCT
eurjchem-2177	284	1	syst	syst	PROPN
eurjchem-2177	284	2	.	.	PUNCT
eurjchem-2177	285	1	pharm	pharm	PROPN
eurjchem-2177	285	2	.	.	PUNCT
eurjchem-2177	286	1	2013	2013	NUM
eurjchem-2177	286	2	,	,	PUNCT
eurjchem-2177	286	3	70	70	NUM
eurjchem-2177	286	4	(	(	PUNCT
eurjchem-2177	286	5	17	17	NUM
eurjchem-2177	286	6	)	)	PUNCT
eurjchem-2177	286	7	,	,	PUNCT
eurjchem-2177	286	8	1483–1494	1483–1494	NUM
eurjchem-2177	286	9	.	.	PUNCT
eurjchem-2177	287	1	[	[	X
eurjchem-2177	287	2	10	10	NUM
eurjchem-2177	287	3	]	]	PUNCT
eurjchem-2177	287	4	.	.	PUNCT
eurjchem-2177	288	1	owa	owa	PROPN
eurjchem-2177	288	2	,	,	PUNCT
eurjchem-2177	288	3	t.	t.	PROPN
eurjchem-2177	288	4	;	;	PUNCT
eurjchem-2177	288	5	nagasu	nagasu	PROPN
eurjchem-2177	288	6	,	,	PUNCT
eurjchem-2177	288	7	t.	t.	NOUN
eurjchem-2177	288	8	expert	expert	NOUN
eurjchem-2177	288	9	opin	opin	NOUN
eurjchem-2177	288	10	.	.	PUNCT
eurjchem-2177	289	1	ther	ther	INTJ
eurjchem-2177	289	2	.	.	PUNCT
eurjchem-2177	290	1	pat	pat	PROPN
eurjchem-2177	290	2	.	.	PROPN
eurjchem-2177	290	3	2000	2000	NUM
eurjchem-2177	290	4	,	,	PUNCT
eurjchem-2177	290	5	10	10	NUM
eurjchem-2177	290	6	(	(	PUNCT
eurjchem-2177	290	7	11	11	NUM
eurjchem-2177	290	8	)	)	PUNCT
eurjchem-2177	290	9	,	,	PUNCT
eurjchem-2177	290	10	1725–1740	1725–1740	NUM
eurjchem-2177	290	11	.	.	PUNCT
eurjchem-2177	291	1	[	[	X
eurjchem-2177	291	2	11	11	NUM
eurjchem-2177	291	3	]	]	PUNCT
eurjchem-2177	291	4	.	.	PUNCT
eurjchem-2177	292	1	supuran	supuran	NOUN
eurjchem-2177	292	2	,	,	PUNCT
eurjchem-2177	292	3	c.	c.	PROPN
eurjchem-2177	292	4	t.	t.	PROPN
eurjchem-2177	292	5	;	;	PUNCT
eurjchem-2177	292	6	scozzafava	scozzafava	NOUN
eurjchem-2177	292	7	,	,	PUNCT
eurjchem-2177	292	8	a.	a.	NOUN
eurjchem-2177	292	9	;	;	PUNCT
eurjchem-2177	292	10	casini	casini	PROPN
eurjchem-2177	292	11	,	,	PUNCT
eurjchem-2177	292	12	a.	a.	PROPN
eurjchem-2177	292	13	med	med	PROPN
eurjchem-2177	292	14	.	.	PUNCT
eurjchem-2177	293	1	res	re	NOUN
eurjchem-2177	293	2	.	.	PUNCT
eurjchem-2177	294	1	rev	rev	PROPN
eurjchem-2177	294	2	.	.	PROPN
eurjchem-2177	294	3	2003	2003	NUM
eurjchem-2177	294	4	,	,	PUNCT
eurjchem-2177	294	5	23	23	NUM
eurjchem-2177	294	6	(	(	PUNCT
eurjchem-2177	294	7	2	2	NUM
eurjchem-2177	294	8	)	)	PUNCT
eurjchem-2177	294	9	,	,	PUNCT
eurjchem-2177	294	10	146–189	146–189	NUM
eurjchem-2177	294	11	.	.	PUNCT
eurjchem-2177	295	1	[	[	X
eurjchem-2177	295	2	12	12	NUM
eurjchem-2177	295	3	]	]	PUNCT
eurjchem-2177	295	4	.	.	PUNCT
eurjchem-2177	296	1	supuran	supuran	NOUN
eurjchem-2177	296	2	,	,	PUNCT
eurjchem-2177	296	3	c.	c.	PROPN
eurjchem-2177	296	4	t.	t.	PROPN
eurjchem-2177	296	5	;	;	PUNCT
eurjchem-2177	296	6	scozzafava	scozzafava	NOUN
eurjchem-2177	296	7	,	,	PUNCT
eurjchem-2177	296	8	a.	a.	NOUN
eurjchem-2177	296	9	expert	expert	NOUN
eurjchem-2177	296	10	opin	opin	NOUN
eurjchem-2177	296	11	.	.	PUNCT
eurjchem-2177	297	1	ther	ther	INTJ
eurjchem-2177	297	2	.	.	PUNCT
eurjchem-2177	298	1	pat	pat	PROPN
eurjchem-2177	298	2	.	.	PROPN
eurjchem-2177	298	3	2002	2002	NUM
eurjchem-2177	298	4	,	,	PUNCT
eurjchem-2177	298	5	12	12	NUM
eurjchem-2177	298	6	(	(	PUNCT
eurjchem-2177	298	7	2	2	NUM
eurjchem-2177	298	8	)	)	PUNCT
eurjchem-2177	298	9	,	,	PUNCT
eurjchem-2177	298	10	217	217	NUM
eurjchem-2177	298	11	–	–	PUNCT
eurjchem-2177	298	12	242	242	NUM
eurjchem-2177	298	13	.	.	PUNCT
eurjchem-2177	299	1	[	[	X
eurjchem-2177	299	2	13	13	NUM
eurjchem-2177	299	3	]	]	PUNCT
eurjchem-2177	299	4	.	.	PUNCT
eurjchem-2177	300	1	supuran	supuran	NOUN
eurjchem-2177	300	2	,	,	PUNCT
eurjchem-2177	300	3	c.	c.	NOUN
eurjchem-2177	300	4	;	;	PUNCT
eurjchem-2177	300	5	scozzafava	scozzafava	NOUN
eurjchem-2177	300	6	,	,	PUNCT
eurjchem-2177	300	7	a.	a.	PROPN
eurjchem-2177	300	8	curr	curr	PROPN
eurjchem-2177	300	9	.	.	PUNCT
eurjchem-2177	301	1	med	med	PROPN
eurjchem-2177	301	2	.	.	PROPN
eurjchem-2177	301	3	chem	chem	PROPN
eurjchem-2177	301	4	.	.	PUNCT
eurjchem-2177	302	1	immunol	immunol	NOUN
eurjchem-2177	302	2	.	.	PUNCT
eurjchem-2177	303	1	endocr	endocr	ADJ
eurjchem-2177	303	2	.	.	PUNCT
eurjchem-2177	304	1	metab	metab	PROPN
eurjchem-2177	304	2	.	.	PUNCT
eurjchem-2177	305	1	agents	agent	NOUN
eurjchem-2177	305	2	2001	2001	NUM
eurjchem-2177	305	3	,	,	PUNCT
eurjchem-2177	305	4	1	1	NUM
eurjchem-2177	305	5	(	(	PUNCT
eurjchem-2177	305	6	1	1	NUM
eurjchem-2177	305	7	)	)	PUNCT
eurjchem-2177	305	8	,	,	PUNCT
eurjchem-2177	305	9	61–97	61–97	NUM
eurjchem-2177	305	10	.	.	PUNCT
eurjchem-2177	306	1	[	[	X
eurjchem-2177	306	2	14	14	NUM
eurjchem-2177	306	3	]	]	PUNCT
eurjchem-2177	306	4	.	.	PUNCT
eurjchem-2177	307	1	maren	maren	PROPN
eurjchem-2177	307	2	,	,	PUNCT
eurjchem-2177	307	3	t.	t.	PROPN
eurjchem-2177	307	4	h.	h.	PROPN
eurjchem-2177	307	5	annu	annu	PROPN
eurjchem-2177	307	6	.	.	PUNCT
eurjchem-2177	308	1	rev	rev	PROPN
eurjchem-2177	308	2	.	.	PROPN
eurjchem-2177	308	3	pharmacol	pharmacol	PROPN
eurjchem-2177	308	4	.	.	PUNCT
eurjchem-2177	309	1	toxicol	toxicol	PROPN
eurjchem-2177	309	2	.	.	PUNCT
eurjchem-2177	310	1	1976	1976	NUM
eurjchem-2177	310	2	,	,	PUNCT
eurjchem-2177	310	3	16	16	NUM
eurjchem-2177	310	4	(	(	PUNCT
eurjchem-2177	310	5	1	1	NUM
eurjchem-2177	310	6	)	)	PUNCT
eurjchem-2177	310	7	,	,	PUNCT
eurjchem-2177	310	8	309–327	309–327	NUM
eurjchem-2177	310	9	.	.	PUNCT
eurjchem-2177	311	1	[	[	X
eurjchem-2177	311	2	15	15	NUM
eurjchem-2177	311	3	]	]	PUNCT
eurjchem-2177	311	4	.	.	PUNCT
eurjchem-2177	312	1	supuran	supuran	NOUN
eurjchem-2177	312	2	,	,	PUNCT
eurjchem-2177	312	3	c.	c.	PROPN
eurjchem-2177	312	4	t.	t.	PROPN
eurjchem-2177	312	5	;	;	PUNCT
eurjchem-2177	312	6	conroy	conroy	PROPN
eurjchem-2177	312	7	,	,	PUNCT
eurjchem-2177	312	8	c.	c.	PROPN
eurjchem-2177	312	9	w.	w.	PROPN
eurjchem-2177	312	10	;	;	PUNCT
eurjchem-2177	312	11	maren	maren	PROPN
eurjchem-2177	312	12	,	,	PUNCT
eurjchem-2177	312	13	t.	t.	PROPN
eurjchem-2177	312	14	h.	h.	PROPN
eurjchem-2177	312	15	eur	eur	PROPN
eurjchem-2177	312	16	.	.	PUNCT
eurjchem-2177	313	1	j.	j.	PROPN
eurjchem-2177	313	2	med	med	PROPN
eurjchem-2177	313	3	.	.	PROPN
eurjchem-2177	313	4	chem	chem	PROPN
eurjchem-2177	313	5	.	.	PUNCT
eurjchem-2177	314	1	1996	1996	NUM
eurjchem-2177	314	2	,	,	PUNCT
eurjchem-2177	314	3	31	31	NUM
eurjchem-2177	314	4	(	(	PUNCT
eurjchem-2177	314	5	11	11	NUM
eurjchem-2177	314	6	)	)	PUNCT
eurjchem-2177	314	7	,	,	PUNCT
eurjchem-2177	314	8	843–846	843–846	NUM
eurjchem-2177	314	9	.	.	PUNCT
eurjchem-2177	315	1	[	[	X
eurjchem-2177	315	2	16	16	NUM
eurjchem-2177	315	3	]	]	PUNCT
eurjchem-2177	315	4	.	.	PUNCT
eurjchem-2177	315	5	boyd	boyd	PROPN
eurjchem-2177	315	6	,	,	PUNCT
eurjchem-2177	315	7	a.	a.	PROPN
eurjchem-2177	315	8	e.	e.	PROPN
eurjchem-2177	315	9	diabetes	diabetes	PROPN
eurjchem-2177	315	10	1988	1988	NUM
eurjchem-2177	315	11	,	,	PUNCT
eurjchem-2177	315	12	37	37	NUM
eurjchem-2177	315	13	(	(	PUNCT
eurjchem-2177	315	14	7	7	NUM
eurjchem-2177	315	15	)	)	PUNCT
eurjchem-2177	315	16	,	,	PUNCT
eurjchem-2177	315	17	847–850	847–850	NUM
eurjchem-2177	315	18	.	.	PUNCT
eurjchem-2177	316	1	[	[	X
eurjchem-2177	316	2	17	17	NUM
eurjchem-2177	316	3	]	]	PUNCT
eurjchem-2177	316	4	.	.	PUNCT
eurjchem-2177	316	5	thaisrivongs	thaisrivong	NOUN
eurjchem-2177	316	6	,	,	PUNCT
eurjchem-2177	316	7	s.	s.	PROPN
eurjchem-2177	316	8	;	;	PUNCT
eurjchem-2177	316	9	skulnick	skulnick	PROPN
eurjchem-2177	316	10	,	,	PUNCT
eurjchem-2177	316	11	h.	h.	PROPN
eurjchem-2177	316	12	i.	i.	PROPN
eurjchem-2177	316	13	;	;	PUNCT
eurjchem-2177	316	14	turner	turner	PROPN
eurjchem-2177	316	15	,	,	PUNCT
eurjchem-2177	316	16	s.	s.	PROPN
eurjchem-2177	316	17	r.	r.	PROPN
eurjchem-2177	316	18	;	;	PUNCT
eurjchem-2177	316	19	strohbach	strohbach	PROPN
eurjchem-2177	316	20	,	,	PUNCT
eurjchem-2177	316	21	j.	j.	PROPN
eurjchem-2177	316	22	w.	w.	PROPN
eurjchem-2177	316	23	;	;	PUNCT
eurjchem-2177	316	24	tommasi	tommasi	PROPN
eurjchem-2177	316	25	,	,	PUNCT
eurjchem-2177	316	26	r.	r.	PROPN
eurjchem-2177	316	27	a.	a.	PROPN
eurjchem-2177	316	28	;	;	PUNCT
eurjchem-2177	316	29	johnson	johnson	PROPN
eurjchem-2177	316	30	,	,	PUNCT
eurjchem-2177	316	31	p.	p.	PROPN
eurjchem-2177	316	32	d.	d.	PROPN
eurjchem-2177	316	33	;	;	PUNCT
eurjchem-2177	316	34	aristoff	aristoff	NOUN
eurjchem-2177	316	35	,	,	PUNCT
eurjchem-2177	316	36	p.	p.	NOUN
eurjchem-2177	316	37	a.	a.	NOUN
eurjchem-2177	316	38	;	;	PUNCT
eurjchem-2177	316	39	judge	judge	NOUN
eurjchem-2177	316	40	,	,	PUNCT
eurjchem-2177	316	41	t.	t.	NOUN
eurjchem-2177	316	42	m.	m.	NOUN
eurjchem-2177	316	43	;	;	PUNCT
eurjchem-2177	316	44	gammill	gammill	PROPN
eurjchem-2177	316	45	,	,	PUNCT
eurjchem-2177	316	46	r.	r.	PROPN
eurjchem-2177	316	47	b.	b.	PROPN
eurjchem-2177	316	48	;	;	PUNCT
eurjchem-2177	316	49	morris	morris	PROPN
eurjchem-2177	316	50	,	,	PUNCT
eurjchem-2177	316	51	j.	j.	PROPN
eurjchem-2177	316	52	k.	k.	PROPN
eurjchem-2177	316	53	;	;	PUNCT
eurjchem-2177	316	54	romines	romines	PROPN
eurjchem-2177	316	55	,	,	PUNCT
eurjchem-2177	316	56	k.	k.	PROPN
eurjchem-2177	316	57	r.	r.	PROPN
eurjchem-2177	316	58	;	;	PUNCT
eurjchem-2177	316	59	chrusciel	chrusciel	PROPN
eurjchem-2177	316	60	,	,	PUNCT
eurjchem-2177	316	61	r.	r.	PROPN
eurjchem-2177	316	62	a.	a.	PROPN
eurjchem-2177	316	63	;	;	PUNCT
eurjchem-2177	316	64	hinshaw	hinshaw	PROPN
eurjchem-2177	316	65	,	,	PUNCT
eurjchem-2177	316	66	r.	r.	PROPN
eurjchem-2177	316	67	r.	r.	PROPN
eurjchem-2177	316	68	;	;	PUNCT
eurjchem-2177	316	69	chong	chong	PROPN
eurjchem-2177	316	70	,	,	PUNCT
eurjchem-2177	316	71	k.	k.	PROPN
eurjchem-2177	316	72	t.	t.	PROPN
eurjchem-2177	316	73	;	;	PUNCT
eurjchem-2177	316	74	tarpley	tarpley	PROPN
eurjchem-2177	316	75	,	,	PUNCT
eurjchem-2177	316	76	w.	w.	PROPN
eurjchem-2177	316	77	g.	g.	PROPN
eurjchem-2177	316	78	;	;	PUNCT
eurjchem-2177	316	79	poppe	poppe	PROPN
eurjchem-2177	316	80	,	,	PUNCT
eurjchem-2177	316	81	s.	s.	PROPN
eurjchem-2177	316	82	m.	m.	PROPN
eurjchem-2177	316	83	;	;	PUNCT
eurjchem-2177	316	84	slade	slade	PROPN
eurjchem-2177	316	85	,	,	PUNCT
eurjchem-2177	316	86	d.	d.	PROPN
eurjchem-2177	316	87	e.	e.	PROPN
eurjchem-2177	316	88	;	;	PUNCT
eurjchem-2177	316	89	lynn	lynn	PROPN
eurjchem-2177	316	90	,	,	PUNCT
eurjchem-2177	316	91	j.	j.	PROPN
eurjchem-2177	316	92	c.	c.	PROPN
eurjchem-2177	316	93	;	;	PUNCT
eurjchem-2177	316	94	horng	horng	PROPN
eurjchem-2177	316	95	,	,	PUNCT
eurjchem-2177	316	96	m.	m.	NOUN
eurjchem-2177	316	97	m.	m.	NOUN
eurjchem-2177	316	98	;	;	PUNCT
eurjchem-2177	316	99	tomich	tomich	PRON
eurjchem-2177	316	100	,	,	PUNCT
eurjchem-2177	316	101	p.	p.	PROPN
eurjchem-2177	316	102	k.	k.	PROPN
eurjchem-2177	316	103	;	;	PUNCT
eurjchem-2177	316	104	seest	seest	PROPN
eurjchem-2177	316	105	,	,	PUNCT
eurjchem-2177	316	106	e.	e.	PROPN
eurjchem-2177	316	107	p.	p.	PROPN
eurjchem-2177	316	108	;	;	PUNCT
eurjchem-2177	316	109	dolak	dolak	NOUN
eurjchem-2177	316	110	,	,	PUNCT
eurjchem-2177	316	111	l.	l.	PROPN
eurjchem-2177	316	112	a.	a.	PROPN
eurjchem-2177	316	113	;	;	PUNCT
eurjchem-2177	316	114	howe	howe	NOUN
eurjchem-2177	316	115	,	,	PUNCT
eurjchem-2177	316	116	w.	w.	PROPN
eurjchem-2177	316	117	j.	j.	PROPN
eurjchem-2177	316	118	;	;	PUNCT
eurjchem-2177	316	119	howard	howard	PROPN
eurjchem-2177	316	120	,	,	PUNCT
eurjchem-2177	316	121	g.	g.	PROPN
eurjchem-2177	316	122	m.	m.	PROPN
eurjchem-2177	316	123	;	;	PUNCT
eurjchem-2177	316	124	watenpaugh	watenpaugh	PROPN
eurjchem-2177	316	125	,	,	PUNCT
eurjchem-2177	316	126	k.	k.	PROPN
eurjchem-2177	316	127	d.	d.	PROPN
eurjchem-2177	316	128	j.	j.	PROPN
eurjchem-2177	316	129	med	med	PROPN
eurjchem-2177	316	130	.	.	PROPN
eurjchem-2177	316	131	chem	chem	PROPN
eurjchem-2177	316	132	.	.	PUNCT
eurjchem-2177	317	1	1996	1996	NUM
eurjchem-2177	317	2	,	,	PUNCT
eurjchem-2177	317	3	39	39	NUM
eurjchem-2177	317	4	(	(	PUNCT
eurjchem-2177	317	5	22	22	NUM
eurjchem-2177	317	6	)	)	PUNCT
eurjchem-2177	317	7	,	,	PUNCT
eurjchem-2177	317	8	4349–4353	4349–4353	NUM
eurjchem-2177	317	9	.	.	PUNCT
eurjchem-2177	318	1	[	[	X
eurjchem-2177	318	2	18	18	NUM
eurjchem-2177	318	3	]	]	PUNCT
eurjchem-2177	318	4	.	.	PUNCT
eurjchem-2177	319	1	supuran	supuran	NOUN
eurjchem-2177	319	2	,	,	PUNCT
eurjchem-2177	319	3	c.	c.	PROPN
eurjchem-2177	319	4	t.	t.	PROPN
eurjchem-2177	319	5	;	;	PUNCT
eurjchem-2177	319	6	scozzafava	scozzafava	NOUN
eurjchem-2177	319	7	,	,	PUNCT
eurjchem-2177	319	8	a.	a.	NOUN
eurjchem-2177	319	9	;	;	PUNCT
eurjchem-2177	319	10	clare	clare	PROPN
eurjchem-2177	319	11	,	,	PUNCT
eurjchem-2177	319	12	b.	b.	PROPN
eurjchem-2177	319	13	w.	w.	PROPN
eurjchem-2177	319	14	med	med	PROPN
eurjchem-2177	319	15	.	.	PUNCT
eurjchem-2177	320	1	res	re	NOUN
eurjchem-2177	320	2	.	.	PUNCT
eurjchem-2177	321	1	rev	rev	PROPN
eurjchem-2177	321	2	.	.	PROPN
eurjchem-2177	321	3	2002	2002	NUM
eurjchem-2177	321	4	,	,	PUNCT
eurjchem-2177	321	5	22	22	NUM
eurjchem-2177	321	6	(	(	PUNCT
eurjchem-2177	321	7	4	4	NUM
eurjchem-2177	321	8	)	)	PUNCT
eurjchem-2177	321	9	,	,	PUNCT
eurjchem-2177	321	10	329–372	329–372	NUM
eurjchem-2177	321	11	.	.	PUNCT
eurjchem-2177	322	1	[	[	X
eurjchem-2177	322	2	19	19	NUM
eurjchem-2177	322	3	]	]	PUNCT
eurjchem-2177	322	4	.	.	PUNCT
eurjchem-2177	323	1	scozzafava	scozzafava	PROPN
eurjchem-2177	323	2	,	,	PUNCT
eurjchem-2177	323	3	a.	a.	NOUN
eurjchem-2177	323	4	;	;	PUNCT
eurjchem-2177	323	5	supuran	supuran	NOUN
eurjchem-2177	323	6	,	,	PUNCT
eurjchem-2177	323	7	c.	c.	PROPN
eurjchem-2177	323	8	t.	t.	PROPN
eurjchem-2177	323	9	j.	j.	PROPN
eurjchem-2177	323	10	med	med	PROPN
eurjchem-2177	323	11	.	.	PROPN
eurjchem-2177	323	12	chem	chem	PROPN
eurjchem-2177	323	13	.	.	PUNCT
eurjchem-2177	324	1	2000	2000	NUM
eurjchem-2177	324	2	,	,	PUNCT
eurjchem-2177	324	3	43	43	NUM
eurjchem-2177	324	4	(	(	PUNCT
eurjchem-2177	324	5	20	20	NUM
eurjchem-2177	324	6	)	)	PUNCT
eurjchem-2177	324	7	,	,	PUNCT
eurjchem-2177	324	8	3677–3687	3677–3687	NOUN
eurjchem-2177	324	9	.	.	PUNCT
eurjchem-2177	325	1	[	[	X
eurjchem-2177	325	2	20	20	NUM
eurjchem-2177	325	3	]	]	PUNCT
eurjchem-2177	325	4	.	.	PUNCT
eurjchem-2177	325	5	thornber	thornber	PROPN
eurjchem-2177	325	6	,	,	PUNCT
eurjchem-2177	325	7	c.	c.	PROPN
eurjchem-2177	325	8	w.	w.	PROPN
eurjchem-2177	325	9	chem	chem	PROPN
eurjchem-2177	325	10	.	.	PUNCT
eurjchem-2177	326	1	soc	soc	PROPN
eurjchem-2177	326	2	.	.	PUNCT
eurjchem-2177	327	1	rev	rev	PROPN
eurjchem-2177	327	2	.	.	PROPN
eurjchem-2177	327	3	1979	1979	NUM
eurjchem-2177	327	4	,	,	PUNCT
eurjchem-2177	327	5	8	8	NUM
eurjchem-2177	327	6	(	(	PUNCT
eurjchem-2177	327	7	4	4	NUM
eurjchem-2177	327	8	)	)	PUNCT
eurjchem-2177	327	9	,	,	PUNCT
eurjchem-2177	327	10	563–580	563–580	NUM
eurjchem-2177	327	11	.	.	PUNCT
eurjchem-2177	328	1	[	[	X
eurjchem-2177	328	2	21	21	NUM
eurjchem-2177	328	3	]	]	PUNCT
eurjchem-2177	328	4	.	.	PUNCT
eurjchem-2177	329	1	lavanya	lavanya	PROPN
eurjchem-2177	329	2	,	,	PUNCT
eurjchem-2177	329	3	r.	r.	PROPN
eurjchem-2177	329	4	inter	inter	PROPN
eurjchem-2177	329	5	.	.	PUNCT
eurjchem-2177	330	1	j.	j.	PROPN
eurjchem-2177	330	2	pharm	pharm	PROPN
eurjchem-2177	330	3	.	.	PUNCT
eurjchem-2177	331	1	sci	sci	PROPN
eurjchem-2177	331	2	.	.	PROPN
eurjchem-2177	331	3	invent	invent	NOUN
eurjchem-2177	331	4	.	.	PUNCT
eurjchem-2177	332	1	2017	2017	NUM
eurjchem-2177	332	2	,	,	PUNCT
eurjchem-2177	332	3	6	6	NUM
eurjchem-2177	332	4	(	(	PUNCT
eurjchem-2177	332	5	2	2	NUM
eurjchem-2177	332	6	)	)	PUNCT
eurjchem-2177	332	7	,	,	PUNCT
eurjchem-2177	332	8	1	1	NUM
eurjchem-2177	332	9	-	-	SYM
eurjchem-2177	332	10	3	3	NUM
eurjchem-2177	332	11	.	.	PUNCT
eurjchem-2177	333	1	[	[	X
eurjchem-2177	333	2	22	22	NUM
eurjchem-2177	333	3	]	]	PUNCT
eurjchem-2177	333	4	.	.	PUNCT
eurjchem-2177	334	1	keam	keam	PROPN
eurjchem-2177	334	2	,	,	PUNCT
eurjchem-2177	334	3	s.	s.	PROPN
eurjchem-2177	334	4	j.	j.	PROPN
eurjchem-2177	334	5	;	;	PUNCT
eurjchem-2177	334	6	goa	goa	PROPN
eurjchem-2177	334	7	,	,	PUNCT
eurjchem-2177	334	8	k.	k.	PROPN
eurjchem-2177	334	9	l.	l.	PROPN
eurjchem-2177	334	10	;	;	PUNCT
eurjchem-2177	334	11	figgitt	figgitt	PROPN
eurjchem-2177	334	12	,	,	PUNCT
eurjchem-2177	334	13	d.	d.	PROPN
eurjchem-2177	334	14	p.	p.	PROPN
eurjchem-2177	334	15	drugs	drug	NOUN
eurjchem-2177	334	16	2002	2002	NUM
eurjchem-2177	334	17	,	,	PUNCT
eurjchem-2177	334	18	62	62	NUM
eurjchem-2177	334	19	(	(	PUNCT
eurjchem-2177	334	20	2	2	NUM
eurjchem-2177	334	21	)	)	PUNCT
eurjchem-2177	334	22	,	,	PUNCT
eurjchem-2177	334	23	387–414	387–414	NUM
eurjchem-2177	334	24	.	.	PUNCT
eurjchem-2177	335	1	[	[	X
eurjchem-2177	335	2	23	23	NUM
eurjchem-2177	335	3	]	]	PUNCT
eurjchem-2177	335	4	.	.	PUNCT
eurjchem-2177	336	1	manikandan	manikandan	PROPN
eurjchem-2177	336	2	,	,	PUNCT
eurjchem-2177	336	3	d.	d.	PROPN
eurjchem-2177	336	4	;	;	PUNCT
eurjchem-2177	336	5	swaminathan	swaminathan	ADV
eurjchem-2177	336	6	,	,	PUNCT
eurjchem-2177	336	7	j.	j.	PROPN
eurjchem-2177	336	8	;	;	PUNCT
eurjchem-2177	336	9	tagore	tagore	PROPN
eurjchem-2177	336	10	,	,	PUNCT
eurjchem-2177	336	11	s.	s.	PROPN
eurjchem-2177	336	12	s.	s.	PROPN
eurjchem-2177	336	13	;	;	PUNCT
eurjchem-2177	336	14	gomathi	gomathi	PROPN
eurjchem-2177	336	15	,	,	PUNCT
eurjchem-2177	336	16	s.	s.	PROPN
eurjchem-2177	336	17	;	;	PUNCT
eurjchem-2177	336	18	sabarinathan	sabarinathan	PROPN
eurjchem-2177	336	19	,	,	PUNCT
eurjchem-2177	336	20	n.	n.	PROPN
eurjchem-2177	336	21	;	;	PUNCT
eurjchem-2177	336	22	ramalingam	ramalingam	NOUN
eurjchem-2177	336	23	,	,	PUNCT
eurjchem-2177	336	24	m.	m.	NOUN
eurjchem-2177	336	25	;	;	PUNCT
eurjchem-2177	336	26	balasubramani	balasubramani	PROPN
eurjchem-2177	336	27	,	,	PUNCT
eurjchem-2177	336	28	k.	k.	PROPN
eurjchem-2177	336	29	;	;	PUNCT
eurjchem-2177	336	30	sethuraman	sethuraman	PROPN
eurjchem-2177	336	31	,	,	PUNCT
eurjchem-2177	336	32	v.	v.	PROPN
eurjchem-2177	336	33	spectrochim	spectrochim	PROPN
eurjchem-2177	336	34	.	.	PUNCT
eurjchem-2177	337	1	acta	acta	PROPN
eurjchem-2177	337	2	a	a	DET
eurjchem-2177	337	3	mol	mol	PROPN
eurjchem-2177	337	4	.	.	PROPN
eurjchem-2177	337	5	biomol	biomol	PROPN
eurjchem-2177	337	6	.	.	PUNCT
eurjchem-2177	338	1	spectrosc	spectrosc	PROPN
eurjchem-2177	338	2	.	.	PUNCT
eurjchem-2177	339	1	2020	2020	NUM
eurjchem-2177	339	2	,	,	PUNCT
eurjchem-2177	339	3	239	239	NUM
eurjchem-2177	339	4	(	(	PUNCT
eurjchem-2177	339	5	118484	118484	NUM
eurjchem-2177	339	6	)	)	PUNCT
eurjchem-2177	339	7	,	,	PUNCT
eurjchem-2177	339	8	118484	118484	NUM
eurjchem-2177	339	9	.	.	PUNCT
eurjchem-2177	340	1	[	[	X
eurjchem-2177	340	2	24	24	NUM
eurjchem-2177	340	3	]	]	PUNCT
eurjchem-2177	340	4	.	.	PUNCT
eurjchem-2177	341	1	bruker	bruker	PROPN
eurjchem-2177	341	2	,	,	PUNCT
eurjchem-2177	341	3	smart	smart	ADJ
eurjchem-2177	341	4	apex2	apex2	PROPN
eurjchem-2177	341	5	,	,	PUNCT
eurjchem-2177	341	6	saint	saint	PROPN
eurjchem-2177	341	7	abd	abd	PROPN
eurjchem-2177	341	8	sadabs	sadabs	PROPN
eurjchem-2177	341	9	,	,	PUNCT
eurjchem-2177	341	10	bruker	bruker	PROPN
eurjchem-2177	341	11	axs	axs	PROPN
eurjchem-2177	341	12	inc	inc	PROPN
eurjchem-2177	341	13	.	.	PROPN
eurjchem-2177	341	14	,	,	PUNCT
eurjchem-2177	341	15	madison	madison	PROPN
eurjchem-2177	341	16	,	,	PUNCT
eurjchem-2177	341	17	wisconsin	wisconsin	PROPN
eurjchem-2177	341	18	,	,	PUNCT
eurjchem-2177	341	19	usa	usa	PROPN
eurjchem-2177	341	20	,	,	PUNCT
eurjchem-2177	341	21	2008	2008	NUM
eurjchem-2177	341	22	.	.	PUNCT
eurjchem-2177	342	1	[	[	X
eurjchem-2177	342	2	25	25	NUM
eurjchem-2177	342	3	]	]	PUNCT
eurjchem-2177	342	4	.	.	PUNCT
eurjchem-2177	342	5	sheldrick	sheldrick	NOUN
eurjchem-2177	342	6	,	,	PUNCT
eurjchem-2177	342	7	g.	g.	PROPN
eurjchem-2177	342	8	m	m	PROPN
eurjchem-2177	342	9	acta	acta	PROPN
eurjchem-2177	342	10	crystallogr	crystallogr	PROPN
eurjchem-2177	342	11	.	.	PUNCT
eurjchem-2177	343	1	a	a	DET
eurjchem-2177	343	2	2008	2008	NUM
eurjchem-2177	343	3	,	,	PUNCT
eurjchem-2177	343	4	64	64	NUM
eurjchem-2177	343	5	(	(	PUNCT
eurjchem-2177	343	6	pt	pt	INTJ
eurjchem-2177	343	7	1	1	NUM
eurjchem-2177	343	8	)	)	PUNCT
eurjchem-2177	343	9	,	,	PUNCT
eurjchem-2177	343	10	112–122	112–122	NUM
eurjchem-2177	343	11	.	.	PUNCT
eurjchem-2177	344	1	[	[	X
eurjchem-2177	344	2	26	26	NUM
eurjchem-2177	344	3	]	]	PUNCT
eurjchem-2177	344	4	.	.	PUNCT
eurjchem-2177	344	5	sheldrick	sheldrick	NOUN
eurjchem-2177	344	6	,	,	PUNCT
eurjchem-2177	344	7	g.	g.	PROPN
eurjchem-2177	344	8	m.	m.	PROPN
eurjchem-2177	344	9	acta	acta	PROPN
eurjchem-2177	344	10	crystallogr	crystallogr	PROPN
eurjchem-2177	344	11	.	.	PUNCT
eurjchem-2177	345	1	a	a	DET
eurjchem-2177	345	2	found	find	VERB
eurjchem-2177	345	3	.	.	PUNCT
eurjchem-2177	346	1	adv	adv	PROPN
eurjchem-2177	346	2	.	.	PROPN
eurjchem-2177	346	3	2015	2015	NUM
eurjchem-2177	346	4	,	,	PUNCT
eurjchem-2177	346	5	71	71	NUM
eurjchem-2177	346	6	(	(	PUNCT
eurjchem-2177	346	7	pt	pt	INTJ
eurjchem-2177	346	8	1	1	NUM
eurjchem-2177	346	9	)	)	PUNCT
eurjchem-2177	346	10	,	,	PUNCT
eurjchem-2177	346	11	3–8	3–8	X
eurjchem-2177	346	12	.	.	PUNCT
eurjchem-2177	347	1	[	[	X
eurjchem-2177	347	2	27	27	NUM
eurjchem-2177	347	3	]	]	PUNCT
eurjchem-2177	347	4	.	.	PUNCT
eurjchem-2177	348	1	becke	becke	NOUN
eurjchem-2177	348	2	,	,	PUNCT
eurjchem-2177	348	3	a.	a.	PROPN
eurjchem-2177	348	4	d.	d.	PROPN
eurjchem-2177	348	5	j.	j.	PROPN
eurjchem-2177	348	6	chem	chem	PROPN
eurjchem-2177	348	7	.	.	PUNCT
eurjchem-2177	349	1	phys	phy	NOUN
eurjchem-2177	349	2	.	.	PUNCT
eurjchem-2177	350	1	1993	1993	NUM
eurjchem-2177	350	2	,	,	PUNCT
eurjchem-2177	350	3	98	98	NUM
eurjchem-2177	350	4	(	(	PUNCT
eurjchem-2177	350	5	7	7	NUM
eurjchem-2177	350	6	)	)	PUNCT
eurjchem-2177	350	7	,	,	PUNCT
eurjchem-2177	350	8	5648–5652	5648–5652	NUM
eurjchem-2177	350	9	.	.	PUNCT
eurjchem-2177	351	1	[	[	X
eurjchem-2177	351	2	28	28	NUM
eurjchem-2177	351	3	]	]	PUNCT
eurjchem-2177	351	4	.	.	PUNCT
eurjchem-2177	351	5	frisch	frisch	PROPN
eurjchem-2177	351	6	,	,	PUNCT
eurjchem-2177	351	7	m.	m.	NOUN
eurjchem-2177	351	8	j.	j.	PROPN
eurjchem-2177	351	9	;	;	PUNCT
eurjchem-2177	351	10	trucks	truck	NOUN
eurjchem-2177	351	11	g.	g.	PROPN
eurjchem-2177	351	12	w.	w.	PROPN
eurjchem-2177	351	13	;	;	PUNCT
eurjchem-2177	351	14	schlegel	schlegel	PROPN
eurjchem-2177	351	15	,	,	PUNCT
eurjchem-2177	351	16	h.	h.	PROPN
eurjchem-2177	351	17	b.	b.	PROPN
eurjchem-2177	351	18	;	;	PUNCT
eurjchem-2177	351	19	scuseria	scuseria	PROPN
eurjchem-2177	351	20	,	,	PUNCT
eurjchem-2177	351	21	g.	g.	PROPN
eurjchem-2177	351	22	e.	e.	PROPN
eurjchem-2177	351	23	;	;	PUNCT
eurjchem-2177	351	24	robb	robb	NOUN
eurjchem-2177	351	25	,	,	PUNCT
eurjchem-2177	351	26	m.	m.	NOUN
eurjchem-2177	351	27	a.	a.	PROPN
eurjchem-2177	351	28	;	;	PUNCT
eurjchem-2177	351	29	cheeseman	cheeseman	PROPN
eurjchem-2177	351	30	,	,	PUNCT
eurjchem-2177	351	31	j.	j.	PROPN
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eurjchem-2177	351	33	;	;	PUNCT
eurjchem-2177	351	34	scalmani	scalmani	PROPN
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eurjchem-2177	351	36	g.	g.	PROPN
eurjchem-2177	351	37	;	;	PUNCT
eurjchem-2177	351	38	barone	barone	PROPN
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eurjchem-2177	351	41	;	;	PUNCT
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eurjchem-2177	351	44	b.	b.	PROPN
eurjchem-2177	351	45	;	;	PUNCT
eurjchem-2177	351	46	petersson	petersson	PROPN
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eurjchem-2177	351	48	g.	g.	PROPN
eurjchem-2177	351	49	a.	a.	PROPN
eurjchem-2177	351	50	;	;	PUNCT
eurjchem-2177	351	51	nakatsuji	nakatsuji	PROPN
eurjchem-2177	351	52	,	,	PUNCT
eurjchem-2177	351	53	h.	h.	PROPN
eurjchem-2177	351	54	;	;	PUNCT
eurjchem-2177	351	55	caricato	caricato	PROPN
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eurjchem-2177	351	57	m.	m.	NOUN
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eurjchem-2177	351	61	x.	x.	PROPN
eurjchem-2177	351	62	;	;	PUNCT
eurjchem-2177	351	63	hratchian	hratchian	PROPN
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eurjchem-2177	351	65	h.	h.	PROPN
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eurjchem-2177	351	67	;	;	PUNCT
eurjchem-2177	351	68	izmaylov	izmaylov	ADV
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eurjchem-2177	351	74	,	,	PUNCT
eurjchem-2177	351	75	j.	j.	PROPN
eurjchem-2177	351	76	;	;	PUNCT
eurjchem-2177	351	77	zheng	zheng	PROPN
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eurjchem-2177	351	80	;	;	PUNCT
eurjchem-2177	351	81	sonnenberg	sonnenberg	PROPN
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eurjchem-2177	351	83	j.	j.	PROPN
eurjchem-2177	351	84	l.	l.	PROPN
eurjchem-2177	351	85	;	;	PUNCT
eurjchem-2177	351	86	hada	hada	PROPN
eurjchem-2177	351	87	,	,	PUNCT
eurjchem-2177	351	88	m.	m.	NOUN
eurjchem-2177	351	89	;	;	PUNCT
eurjchem-2177	351	90	ehara	ehara	PROPN
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eurjchem-2177	351	92	m.	m.	NOUN
eurjchem-2177	351	93	;	;	PUNCT
eurjchem-2177	351	94	toyota	toyota	PROPN
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eurjchem-2177	351	96	k.	k.	PROPN
eurjchem-2177	351	97	;	;	PUNCT
eurjchem-2177	351	98	fukuda	fukuda	PROPN
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eurjchem-2177	351	100	r.	r.	PROPN
eurjchem-2177	351	101	;	;	PUNCT
eurjchem-2177	351	102	hasegawa	hasegawa	PROPN
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eurjchem-2177	351	104	j.	j.	PROPN
eurjchem-2177	351	105	;	;	PUNCT
eurjchem-2177	351	106	ishida	ishida	PROPN
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eurjchem-2177	351	108	m.	m.	NOUN
eurjchem-2177	351	109	;	;	PUNCT
eurjchem-2177	351	110	nakajima	nakajima	PROPN
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eurjchem-2177	351	112	t.	t.	PROPN
eurjchem-2177	351	113	;	;	PUNCT
eurjchem-2177	351	114	honda	honda	NOUN
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eurjchem-2177	351	116	y.	y.	PROPN
eurjchem-2177	351	117	;	;	PUNCT
eurjchem-2177	351	118	kitao	kitao	PROPN
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eurjchem-2177	351	120	o.	o.	PROPN
eurjchem-2177	351	121	;	;	PUNCT
eurjchem-2177	351	122	nakai	nakai	PROPN
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eurjchem-2177	351	124	h.	h.	PROPN
eurjchem-2177	351	125	;	;	PUNCT
eurjchem-2177	351	126	vreven	vreven	VERB
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eurjchem-2177	351	128	t.	t.	PROPN
eurjchem-2177	351	129	;	;	PUNCT
eurjchem-2177	351	130	montgomery	montgomery	PROPN
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eurjchem-2177	351	132	j.	j.	PROPN
eurjchem-2177	351	133	a.	a.	PROPN
eurjchem-2177	351	134	;	;	PUNCT
eurjchem-2177	351	135	peralta	peralta	PROPN
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eurjchem-2177	351	137	j.	j.	PROPN
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eurjchem-2177	351	139	;	;	PUNCT
eurjchem-2177	351	140	ogliaro	ogliaro	PROPN
eurjchem-2177	351	141	,	,	PUNCT
eurjchem-2177	351	142	f.	f.	PROPN
eurjchem-2177	351	143	;	;	PUNCT
eurjchem-2177	351	144	bearpark	bearpark	PROPN
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eurjchem-2177	351	146	m.	m.	NOUN
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eurjchem-2177	351	155	e.	e.	PROPN
eurjchem-2177	351	156	;	;	PUNCT
eurjchem-2177	351	157	kudin	kudin	PROPN
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eurjchem-2177	351	159	k.	k.	PROPN
eurjchem-2177	351	160	n.	n.	PROPN
eurjchem-2177	351	161	;	;	PUNCT
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eurjchem-2177	351	166	;	;	PUNCT
eurjchem-2177	351	167	kobayashi	kobayashi	PROPN
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eurjchem-2177	351	169	r.	r.	PROPN
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eurjchem-2177	351	171	normand	normand	PROPN
eurjchem-2177	351	172	,	,	PUNCT
eurjchem-2177	351	173	j.	j.	PROPN
eurjchem-2177	351	174	;	;	PUNCT
eurjchem-2177	351	175	raghavachari	raghavachari	PROPN
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eurjchem-2177	351	177	k.	k.	PROPN
eurjchem-2177	351	178	;	;	PUNCT
eurjchem-2177	351	179	rendell	rendell	PROPN
eurjchem-2177	351	180	,	,	PUNCT
eurjchem-2177	351	181	a.	a.	NOUN
eurjchem-2177	351	182	;	;	PUNCT
eurjchem-2177	351	183	burant	burant	PROPN
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eurjchem-2177	351	185	j.	j.	PROPN
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eurjchem-2177	351	187	;	;	PUNCT
eurjchem-2177	351	188	iyengar	iyengar	PROPN
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eurjchem-2177	351	190	s.	s.	PROPN
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eurjchem-2177	351	192	;	;	PUNCT
eurjchem-2177	351	193	tomasi	tomasi	PROPN
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eurjchem-2177	351	195	j.	j.	PROPN
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eurjchem-2177	351	197	cossi	cossi	PROPN
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eurjchem-2177	351	207	j.	j.	PROPN
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eurjchem-2177	351	213	;	;	PUNCT
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eurjchem-2177	351	218	;	;	PUNCT
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eurjchem-2177	351	230	c.	c.	PROPN
eurjchem-2177	351	231	;	;	PUNCT
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eurjchem-2177	351	234	j.	j.	PROPN
eurjchem-2177	351	235	;	;	PUNCT
eurjchem-2177	351	236	gomperts	gomperts	PROPN
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eurjchem-2177	351	242	r.	r.	PROPN
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eurjchem-2177	351	244	;	;	PUNCT
eurjchem-2177	351	245	yazyev	yazyev	PROPN
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eurjchem-2177	351	247	o.	o.	PROPN
eurjchem-2177	351	248	;	;	PUNCT
eurjchem-2177	351	249	a.	a.	PROPN
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eurjchem-2177	351	253	a.	a.	PROPN
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eurjchem-2177	351	266	j.	j.	PROPN
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eurjchem-2177	351	273	;	;	PUNCT
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eurjchem-2177	352	1	[	[	X
eurjchem-2177	352	2	29	29	NUM
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eurjchem-2177	352	74	,	,	PUNCT
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eurjchem-2177	352	80	;	;	PUNCT
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eurjchem-2177	352	83	j.	j.	PROPN
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eurjchem-2177	352	85	;	;	PUNCT
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eurjchem-2177	352	92	m.	m.	NOUN
eurjchem-2177	352	93	;	;	PUNCT
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eurjchem-2177	352	104	j.	j.	PROPN
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eurjchem-2177	352	129	;	;	PUNCT
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eurjchem-2177	352	161	;	;	PUNCT
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eurjchem-2177	352	166	;	;	PUNCT
eurjchem-2177	352	167	kobayashi	kobayashi	PROPN
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eurjchem-2177	352	173	j.	j.	PROPN
eurjchem-2177	352	174	;	;	PUNCT
eurjchem-2177	352	175	raghavachari	raghavachari	PROPN
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eurjchem-2177	352	178	;	;	PUNCT
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eurjchem-2177	352	182	;	;	PUNCT
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eurjchem-2177	352	185	j.	j.	PROPN
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eurjchem-2177	352	187	;	;	PUNCT
eurjchem-2177	352	188	iyengar	iyengar	PROPN
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eurjchem-2177	352	190	s.	s.	PROPN
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eurjchem-2177	352	192	;	;	PUNCT
eurjchem-2177	352	193	tomasi	tomasi	PROPN
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eurjchem-2177	352	195	j.	j.	PROPN
eurjchem-2177	352	196	;	;	PUNCT
eurjchem-2177	352	197	cossi	cossi	PROPN
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eurjchem-2177	352	200	;	;	PUNCT
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eurjchem-2177	352	204	;	;	PUNCT
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eurjchem-2177	352	207	j.	j.	PROPN
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eurjchem-2177	352	210	klene	klene	PROPN
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eurjchem-2177	352	212	m.	m.	NOUN
eurjchem-2177	352	213	;	;	PUNCT
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eurjchem-2177	352	216	j.	j.	PROPN
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eurjchem-2177	352	218	;	;	PUNCT
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eurjchem-2177	352	220	,	,	PUNCT
eurjchem-2177	352	221	j.	j.	PROPN
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eurjchem-2177	352	227	;	;	PUNCT
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eurjchem-2177	352	230	c.	c.	PROPN
eurjchem-2177	352	231	;	;	PUNCT
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eurjchem-2177	352	234	j.	j.	PROPN
eurjchem-2177	352	235	;	;	PUNCT
eurjchem-2177	352	236	gomperts	gomperts	PROPN
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eurjchem-2177	352	239	;	;	PUNCT
eurjchem-2177	352	240	stratmann	stratmann	PROPN
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eurjchem-2177	352	242	r.	r.	PROPN
eurjchem-2177	352	243	e.	e.	PROPN
eurjchem-2177	352	244	;	;	PUNCT
eurjchem-2177	352	245	yazyev	yazyev	PROPN
eurjchem-2177	352	246	,	,	PUNCT
eurjchem-2177	352	247	o.	o.	PROPN
eurjchem-2177	352	248	;	;	PUNCT
eurjchem-2177	352	249	a.	a.	PROPN
eurjchem-2177	352	250	j.	j.	PROPN
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eurjchem-2177	352	252	,	,	PUNCT
eurjchem-2177	352	253	a.	a.	PROPN
eurjchem-2177	352	254	j.	j.	PROPN
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eurjchem-2177	352	259	;	;	PUNCT
eurjchem-2177	352	260	pomelli	pomelli	PROPN
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eurjchem-2177	352	263	;	;	PUNCT
eurjchem-2177	352	264	ochterski	ochterski	PROPN
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eurjchem-2177	352	266	j.	j.	PROPN
eurjchem-2177	352	267	w.	w.	PROPN
eurjchem-2177	352	268	;	;	PUNCT
eurjchem-2177	352	269	martin	martin	PROPN
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eurjchem-2177	352	271	r.	r.	PROPN
eurjchem-2177	352	272	l.	l.	PROPN
eurjchem-2177	352	273	;	;	PUNCT
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eurjchem-2177	352	275	,	,	PUNCT
eurjchem-2177	352	276	k.	k.	PROPN
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eurjchem-2177	352	282	;	;	PUNCT
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eurjchem-2177	352	285	g.	g.	PROPN
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eurjchem-2177	352	287	;	;	PUNCT
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eurjchem-2177	352	290	p.	p.	PROPN
eurjchem-2177	352	291	;	;	PUNCT
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eurjchem-2177	352	294	j.	j.	PROPN
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eurjchem-2177	352	296	;	;	PUNCT
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eurjchem-2177	352	303	a.	a.	PROPN
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eurjchem-2177	352	319	;	;	PUNCT
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eurjchem-2177	352	322	j.	j.	PROPN
eurjchem-2177	352	323	;	;	PUNCT
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eurjchem-2177	354	4	;	;	PUNCT
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eurjchem-2177	362	5	;	;	PUNCT
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eurjchem-2177	364	2	.	.	PUNCT
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eurjchem-2177	365	2	,	,	PUNCT
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eurjchem-2177	365	5	3–4	3–4	NUM
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eurjchem-2177	365	9	–	–	PUNCT
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eurjchem-2177	366	4	.	.	PUNCT
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eurjchem-2177	367	5	;	;	PUNCT
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eurjchem-2177	367	10	;	;	PUNCT
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eurjchem-2177	368	1	[	[	X
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eurjchem-2177	368	3	]	]	PUNCT
eurjchem-2177	368	4	.	.	PUNCT
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eurjchem-2177	369	5	;	;	PUNCT
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eurjchem-2177	369	7	,	,	PUNCT
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eurjchem-2177	369	10	;	;	PUNCT
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eurjchem-2177	369	12	,	,	PUNCT
eurjchem-2177	369	13	v.	v.	PROPN
eurjchem-2177	369	14	b.	b.	PROPN
eurjchem-2177	369	15	;	;	PUNCT
eurjchem-2177	369	16	hall	hall	PROPN
eurjchem-2177	369	17	,	,	PUNCT
eurjchem-2177	369	18	m.	m.	PROPN
eurjchem-2177	369	19	b.	b.	PROPN
eurjchem-2177	369	20	;	;	PUNCT
eurjchem-2177	369	21	zarić	zarić	PROPN
eurjchem-2177	369	22	,	,	PUNCT
eurjchem-2177	369	23	s.	s.	PROPN
eurjchem-2177	369	24	d.	d.	PROPN
eurjchem-2177	369	25	coord	coord	PROPN
eurjchem-2177	369	26	.	.	PUNCT
eurjchem-2177	370	1	chem	chem	PROPN
eurjchem-2177	370	2	.	.	PUNCT
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eurjchem-2177	371	2	.	.	PROPN
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eurjchem-2177	371	4	,	,	PUNCT
eurjchem-2177	371	5	345	345	NUM
eurjchem-2177	371	6	,	,	PUNCT
eurjchem-2177	371	7	318–341	318–341	NUM
eurjchem-2177	371	8	.	.	PUNCT
eurjchem-2177	372	1	[	[	X
eurjchem-2177	372	2	35	35	NUM
eurjchem-2177	372	3	]	]	SYM
eurjchem-2177	372	4	.	.	PUNCT
eurjchem-2177	373	1	mckinnon	mckinnon	PROPN
eurjchem-2177	373	2	,	,	PUNCT
eurjchem-2177	373	3	j.	j.	PROPN
eurjchem-2177	373	4	j.	j.	PROPN
eurjchem-2177	373	5	;	;	PUNCT
eurjchem-2177	373	6	jayatilaka	jayatilaka	PROPN
eurjchem-2177	373	7	,	,	PUNCT
eurjchem-2177	373	8	d.	d.	PROPN
eurjchem-2177	373	9	;	;	PUNCT
eurjchem-2177	373	10	spackman	spackman	NOUN
eurjchem-2177	373	11	,	,	PUNCT
eurjchem-2177	373	12	m.	m.	NOUN
eurjchem-2177	373	13	a.	a.	NOUN
eurjchem-2177	373	14	chem	chem	PROPN
eurjchem-2177	373	15	.	.	PUNCT
eurjchem-2177	374	1	commun	commun	PROPN
eurjchem-2177	374	2	.	.	PUNCT
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eurjchem-2177	375	2	camb	camb	PROPN
eurjchem-2177	375	3	.	.	PUNCT
eurjchem-2177	375	4	)	)	PUNCT
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eurjchem-2177	376	2	,	,	PUNCT
eurjchem-2177	376	3	no	no	INTJ
eurjchem-2177	376	4	.	.	NOUN
eurjchem-2177	376	5	37	37	NUM
eurjchem-2177	376	6	,	,	PUNCT
eurjchem-2177	376	7	3814–3816	3814–3816	NUM
eurjchem-2177	376	8	.	.	PUNCT
eurjchem-2177	377	1	[	[	X
eurjchem-2177	377	2	36	36	NUM
eurjchem-2177	377	3	]	]	PUNCT
eurjchem-2177	377	4	.	.	PUNCT
eurjchem-2177	378	1	allen	allen	PROPN
eurjchem-2177	378	2	,	,	PUNCT
eurjchem-2177	378	3	f.	f.	PROPN
eurjchem-2177	378	4	h.	h.	PROPN
eurjchem-2177	378	5	;	;	PUNCT
eurjchem-2177	378	6	kennard	kennard	PROPN
eurjchem-2177	378	7	,	,	PUNCT
eurjchem-2177	378	8	o.	o.	PROPN
eurjchem-2177	378	9	;	;	PUNCT
eurjchem-2177	378	10	watson	watson	PROPN
eurjchem-2177	378	11	,	,	PUNCT
eurjchem-2177	378	12	d.	d.	PROPN
eurjchem-2177	378	13	g.	g.	PROPN
eurjchem-2177	378	14	;	;	PUNCT
eurjchem-2177	378	15	brammer	brammer	PROPN
eurjchem-2177	378	16	,	,	PUNCT
eurjchem-2177	378	17	l.	l.	PROPN
eurjchem-2177	378	18	;	;	PUNCT
eurjchem-2177	378	19	guy	guy	NOUN
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eurjchem-2177	378	21	,	,	PUNCT
eurjchem-2177	378	22	a.	a.	NOUN
eurjchem-2177	378	23	;	;	PUNCT
eurjchem-2177	378	24	taylor	taylor	PROPN
eurjchem-2177	378	25	,	,	PUNCT
eurjchem-2177	378	26	r.	r.	PROPN
eurjchem-2177	378	27	j.	j.	PROPN
eurjchem-2177	378	28	chem	chem	PROPN
eurjchem-2177	378	29	.	.	PUNCT
eurjchem-2177	379	1	soc	soc	PROPN
eurjchem-2177	379	2	.	.	PUNCT
eurjchem-2177	380	1	perkin	perkin	PROPN
eurjchem-2177	380	2	trans	trans	PROPN
eurjchem-2177	380	3	.	.	PROPN
eurjchem-2177	380	4	2	2	NUM
eurjchem-2177	380	5	1987	1987	NUM
eurjchem-2177	380	6	,	,	PUNCT
eurjchem-2177	380	7	12	12	NUM
eurjchem-2177	380	8	,	,	PUNCT
eurjchem-2177	380	9	s1	s1	NOUN
eurjchem-2177	380	10	–	–	PUNCT
eurjchem-2177	380	11	s19	s19	NOUN
eurjchem-2177	380	12	.	.	PUNCT
eurjchem-2177	381	1	[	[	X
eurjchem-2177	381	2	37	37	NUM
eurjchem-2177	381	3	]	]	PUNCT
eurjchem-2177	381	4	.	.	PUNCT
eurjchem-2177	382	1	ravikumar	ravikumar	PROPN
eurjchem-2177	382	2	,	,	PUNCT
eurjchem-2177	382	3	k.	k.	PROPN
eurjchem-2177	382	4	;	;	PUNCT
eurjchem-2177	382	5	sridhar	sridhar	PROPN
eurjchem-2177	382	6	,	,	PUNCT
eurjchem-2177	382	7	b.	b.	PROPN
eurjchem-2177	382	8	;	;	PUNCT
eurjchem-2177	382	9	krishnan	krishnan	PROPN
eurjchem-2177	382	10	,	,	PUNCT
eurjchem-2177	382	11	h.	h.	PROPN
eurjchem-2177	382	12	;	;	PUNCT
eurjchem-2177	382	13	singh	singh	PROPN
eurjchem-2177	382	14	,	,	PUNCT
eurjchem-2177	382	15	a.	a.	PROPN
eurjchem-2177	382	16	n.	n.	PROPN
eurjchem-2177	382	17	acta	acta	PROPN
eurjchem-2177	382	18	crystallogr	crystallogr	PROPN
eurjchem-2177	382	19	.	.	PUNCT
eurjchem-2177	383	1	c	c	PROPN
eurjchem-2177	383	2	2008	2008	NUM
eurjchem-2177	383	3	,	,	PUNCT
eurjchem-2177	383	4	64	64	NUM
eurjchem-2177	383	5	(	(	PUNCT
eurjchem-2177	383	6	pt	pt	INTJ
eurjchem-2177	383	7	1	1	NUM
eurjchem-2177	383	8	)	)	PUNCT
eurjchem-2177	383	9	,	,	PUNCT
eurjchem-2177	383	10	o15	o15	NOUN
eurjchem-2177	383	11	-	-	SYM
eurjchem-2177	383	12	7	7	NUM
eurjchem-2177	383	13	.	.	PUNCT
eurjchem-2177	384	1	[	[	X
eurjchem-2177	384	2	38	38	NUM
eurjchem-2177	384	3	]	]	PUNCT
eurjchem-2177	384	4	.	.	PUNCT
eurjchem-2177	385	1	sridhar	sridhar	PROPN
eurjchem-2177	385	2	,	,	PUNCT
eurjchem-2177	385	3	b.	b.	PROPN
eurjchem-2177	385	4	;	;	PUNCT
eurjchem-2177	385	5	ravikumar	ravikumar	PROPN
eurjchem-2177	385	6	,	,	PUNCT
eurjchem-2177	385	7	k.	k.	PROPN
eurjchem-2177	385	8	;	;	PUNCT
eurjchem-2177	385	9	krishnan	krishnan	PROPN
eurjchem-2177	385	10	,	,	PUNCT
eurjchem-2177	385	11	h.	h.	PROPN
eurjchem-2177	385	12	;	;	PUNCT
eurjchem-2177	385	13	singh	singh	PROPN
eurjchem-2177	385	14	,	,	PUNCT
eurjchem-2177	385	15	a.	a.	PROPN
eurjchem-2177	385	16	n.	n.	PROPN
eurjchem-2177	385	17	j.	j.	PROPN
eurjchem-2177	385	18	chem	chem	PROPN
eurjchem-2177	385	19	.	.	PUNCT
eurjchem-2177	386	1	crystallogr	crystallogr	PROPN
eurjchem-2177	386	2	.	.	PUNCT
eurjchem-2177	387	1	2011	2011	NUM
eurjchem-2177	387	2	,	,	PUNCT
eurjchem-2177	387	3	41	41	NUM
eurjchem-2177	387	4	(	(	PUNCT
eurjchem-2177	387	5	3	3	NUM
eurjchem-2177	387	6	)	)	PUNCT
eurjchem-2177	387	7	,	,	PUNCT
eurjchem-2177	387	8	291–296	291–296	NUM
eurjchem-2177	387	9	.	.	PUNCT
eurjchem-2177	388	1	[	[	X
eurjchem-2177	388	2	39	39	NUM
eurjchem-2177	388	3	]	]	PUNCT
eurjchem-2177	388	4	.	.	PUNCT
eurjchem-2177	389	1	spackman	spackman	PROPN
eurjchem-2177	389	2	,	,	PUNCT
eurjchem-2177	389	3	m.	m.	NOUN
eurjchem-2177	389	4	a.	a.	PROPN
eurjchem-2177	389	5	;	;	PUNCT
eurjchem-2177	389	6	jayatilaka	jayatilaka	PROPN
eurjchem-2177	389	7	,	,	PUNCT
eurjchem-2177	389	8	d.	d.	PROPN
eurjchem-2177	389	9	crystengcomm	crystengcomm	PROPN
eurjchem-2177	389	10	2009	2009	NUM
eurjchem-2177	389	11	,	,	PUNCT
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eurjchem-2177	389	13	(	(	PUNCT
eurjchem-2177	389	14	1	1	NUM
eurjchem-2177	389	15	)	)	PUNCT
eurjchem-2177	389	16	,	,	PUNCT
eurjchem-2177	389	17	19–32	19–32	NUM
eurjchem-2177	389	18	.	.	PUNCT
eurjchem-2177	390	1	[	[	X
eurjchem-2177	390	2	40	40	NUM
eurjchem-2177	390	3	]	]	PUNCT
eurjchem-2177	390	4	.	.	PUNCT
eurjchem-2177	391	1	koenderink	koenderink	PROPN
eurjchem-2177	391	2	,	,	PUNCT
eurjchem-2177	391	3	j.	j.	PROPN
eurjchem-2177	391	4	j.	j.	PROPN
eurjchem-2177	391	5	;	;	PUNCT
eurjchem-2177	391	6	van	van	PROPN
eurjchem-2177	391	7	doorn	doorn	PROPN
eurjchem-2177	391	8	,	,	PUNCT
eurjchem-2177	391	9	a.	a.	NOUN
eurjchem-2177	391	10	j.	j.	PROPN
eurjchem-2177	391	11	image	image	PROPN
eurjchem-2177	391	12	vis	vis	X
eurjchem-2177	391	13	.	.	PUNCT
eurjchem-2177	391	14	comput	comput	NOUN
eurjchem-2177	391	15	.	.	PUNCT
eurjchem-2177	392	1	1992	1992	NUM
eurjchem-2177	392	2	,	,	PUNCT
eurjchem-2177	392	3	10	10	NUM
eurjchem-2177	392	4	(	(	PUNCT
eurjchem-2177	392	5	8)	8)	NUM
eurjchem-2177	392	6	,	,	PUNCT
eurjchem-2177	392	7	557	557	NUM
eurjchem-2177	392	8	–	–	PUNCT
eurjchem-2177	392	9	564	564	NUM
eurjchem-2177	392	10	.	.	PUNCT
eurjchem-2177	393	1	[	[	X
eurjchem-2177	393	2	41	41	NUM
eurjchem-2177	393	3	]	]	PUNCT
eurjchem-2177	393	4	.	.	PUNCT
eurjchem-2177	394	1	koenderink	koenderink	PROPN
eurjchem-2177	394	2	,	,	PUNCT
eurjchem-2177	394	3	j.	j.	PROPN
eurjchem-2177	394	4	j.	j.	PROPN
eurjchem-2177	394	5	solid	solid	PROPN
eurjchem-2177	394	6	shape	shape	PROPN
eurjchem-2177	394	7	;	;	PUNCT
eurjchem-2177	394	8	mit	mit	NOUN
eurjchem-2177	394	9	press	press	NOUN
eurjchem-2177	394	10	:	:	PUNCT
eurjchem-2177	394	11	london	london	PROPN
eurjchem-2177	394	12	,	,	PUNCT
eurjchem-2177	394	13	england	england	PROPN
eurjchem-2177	394	14	,	,	PUNCT
eurjchem-2177	394	15	1990	1990	NUM
eurjchem-2177	394	16	.	.	PUNCT
eurjchem-2177	395	1	[	[	X
eurjchem-2177	395	2	42	42	NUM
eurjchem-2177	395	3	]	]	PUNCT
eurjchem-2177	395	4	.	.	PUNCT
eurjchem-2177	396	1	bondi	bondi	PROPN
eurjchem-2177	396	2	,	,	PUNCT
eurjchem-2177	396	3	a.	a.	PROPN
eurjchem-2177	396	4	j.	j.	PROPN
eurjchem-2177	396	5	phys	phys	PROPN
eurjchem-2177	396	6	.	.	PUNCT
eurjchem-2177	397	1	chem	chem	PROPN
eurjchem-2177	397	2	.	.	PUNCT
eurjchem-2177	398	1	1964	1964	NUM
eurjchem-2177	398	2	,	,	PUNCT
eurjchem-2177	398	3	68	68	NUM
eurjchem-2177	398	4	(	(	PUNCT
eurjchem-2177	398	5	3	3	NUM
eurjchem-2177	398	6	)	)	PUNCT
eurjchem-2177	398	7	,	,	PUNCT
eurjchem-2177	398	8	441–451	441–451	NUM
eurjchem-2177	398	9	.	.	PUNCT
eurjchem-2177	399	1	[	[	X
eurjchem-2177	399	2	43	43	NUM
eurjchem-2177	399	3	]	]	PUNCT
eurjchem-2177	399	4	.	.	PUNCT
eurjchem-2177	400	1	gumus	gumus	PROPN
eurjchem-2177	400	2	,	,	PUNCT
eurjchem-2177	400	3	i.	i.	PROPN
eurjchem-2177	400	4	;	;	PUNCT
eurjchem-2177	400	5	solmaz	solmaz	PROPN
eurjchem-2177	400	6	,	,	PUNCT
eurjchem-2177	400	7	u.	u.	PROPN
eurjchem-2177	400	8	;	;	PUNCT
eurjchem-2177	400	9	gonca	gonca	PROPN
eurjchem-2177	400	10	,	,	PUNCT
eurjchem-2177	400	11	s.	s.	PROPN
eurjchem-2177	400	12	;	;	PUNCT
eurjchem-2177	400	13	arslan	arslan	PROPN
eurjchem-2177	400	14	,	,	PUNCT
eurjchem-2177	400	15	h.	h.	PROPN
eurjchem-2177	400	16	eur	eur	PROPN
eurjchem-2177	400	17	.	.	PUNCT
eurjchem-2177	401	1	j.	j.	PROPN
eurjchem-2177	401	2	chem	chem	PROPN
eurjchem-2177	401	3	.	.	PUNCT
eurjchem-2177	402	1	2017	2017	NUM
eurjchem-2177	402	2	,	,	PUNCT
eurjchem-2177	402	3	8	8	NUM
eurjchem-2177	402	4	(	(	PUNCT
eurjchem-2177	402	5	4	4	NUM
eurjchem-2177	402	6	)	)	PUNCT
eurjchem-2177	402	7	,	,	PUNCT
eurjchem-2177	402	8	349–357	349–357	NUM
eurjchem-2177	402	9	.	.	PUNCT
eurjchem-2177	403	1	[	[	X
eurjchem-2177	403	2	44	44	NUM
eurjchem-2177	403	3	]	]	PUNCT
eurjchem-2177	403	4	.	.	PUNCT
eurjchem-2177	404	1	khan	khan	PROPN
eurjchem-2177	404	2	,	,	PUNCT
eurjchem-2177	404	3	i.	i.	PROPN
eurjchem-2177	404	4	;	;	PUNCT
eurjchem-2177	404	5	panini	panini	NOUN
eurjchem-2177	404	6	,	,	PUNCT
eurjchem-2177	404	7	p.	p.	NOUN
eurjchem-2177	404	8	;	;	PUNCT
eurjchem-2177	404	9	khan	khan	PROPN
eurjchem-2177	404	10	,	,	PUNCT
eurjchem-2177	404	11	s.	s.	PROPN
eurjchem-2177	404	12	u.-d	u.-d	PROPN
eurjchem-2177	404	13	.	.	PUNCT
eurjchem-2177	404	14	;	;	PUNCT
eurjchem-2177	404	15	rana	rana	PROPN
eurjchem-2177	404	16	,	,	PUNCT
eurjchem-2177	404	17	u.	u.	PROPN
eurjchem-2177	404	18	a.	a.	PROPN
eurjchem-2177	404	19	;	;	PUNCT
eurjchem-2177	404	20	andleeb	andleeb	PROPN
eurjchem-2177	404	21	,	,	PUNCT
eurjchem-2177	404	22	h.	h.	PROPN
eurjchem-2177	404	23	;	;	PUNCT
eurjchem-2177	404	24	chopra	chopra	PROPN
eurjchem-2177	404	25	,	,	PUNCT
eurjchem-2177	404	26	d.	d.	PROPN
eurjchem-2177	404	27	;	;	PUNCT
eurjchem-2177	404	28	hameed	hameed	PROPN
eurjchem-2177	404	29	,	,	PUNCT
eurjchem-2177	404	30	s.	s.	PROPN
eurjchem-2177	404	31	;	;	PUNCT
eurjchem-2177	404	32	simpson	simpson	PROPN
eurjchem-2177	404	33	,	,	PUNCT
eurjchem-2177	404	34	j.	j.	PROPN
eurjchem-2177	404	35	cryst	cryst	PROPN
eurjchem-2177	404	36	.	.	PUNCT
eurjchem-2177	405	1	growth	growth	PROPN
eurjchem-2177	405	2	des	des	PROPN
eurjchem-2177	405	3	.	.	PROPN
eurjchem-2177	405	4	2016	2016	NUM
eurjchem-2177	405	5	,	,	PUNCT
eurjchem-2177	405	6	16	16	NUM
eurjchem-2177	405	7	(	(	PUNCT
eurjchem-2177	405	8	3	3	NUM
eurjchem-2177	405	9	)	)	PUNCT
eurjchem-2177	405	10	,	,	PUNCT
eurjchem-2177	405	11	1371–1386	1371–1386	NUM
eurjchem-2177	405	12	.	.	PUNCT
eurjchem-2177	406	1	[	[	X
eurjchem-2177	406	2	45	45	NUM
eurjchem-2177	406	3	]	]	PUNCT
eurjchem-2177	406	4	.	.	PUNCT
eurjchem-2177	406	5	spackman	spackman	PROPN
eurjchem-2177	406	6	,	,	PUNCT
eurjchem-2177	406	7	m.	m.	NOUN
eurjchem-2177	406	8	a.	a.	PROPN
eurjchem-2177	406	9	;	;	PUNCT
eurjchem-2177	406	10	mckinnon	mckinnon	PROPN
eurjchem-2177	406	11	,	,	PUNCT
eurjchem-2177	406	12	j.	j.	PROPN
eurjchem-2177	406	13	j	j	PROPN
eurjchem-2177	406	14	crystengcomm	crystengcomm	PROPN
eurjchem-2177	406	15	2002	2002	NUM
eurjchem-2177	406	16	,	,	PUNCT
eurjchem-2177	406	17	4	4	NUM
eurjchem-2177	406	18	(	(	PUNCT
eurjchem-2177	406	19	66	66	NUM
eurjchem-2177	406	20	)	)	PUNCT
eurjchem-2177	406	21	,	,	PUNCT
eurjchem-2177	406	22	378–392	378–392	NUM
eurjchem-2177	406	23	.	.	PUNCT
eurjchem-2177	407	1	[	[	X
eurjchem-2177	407	2	46	46	NUM
eurjchem-2177	407	3	]	]	PUNCT
eurjchem-2177	407	4	.	.	PUNCT
eurjchem-2177	407	5	turner	turner	PROPN
eurjchem-2177	407	6	,	,	PUNCT
eurjchem-2177	407	7	m.	m.	NOUN
eurjchem-2177	407	8	j.	j.	PROPN
eurjchem-2177	407	9	;	;	PUNCT
eurjchem-2177	407	10	grabowsky	grabowsky	PROPN
eurjchem-2177	407	11	,	,	PUNCT
eurjchem-2177	407	12	s.	s.	PROPN
eurjchem-2177	407	13	;	;	PUNCT
eurjchem-2177	407	14	jayatilaka	jayatilaka	PROPN
eurjchem-2177	407	15	,	,	PUNCT
eurjchem-2177	407	16	d.	d.	PROPN
eurjchem-2177	407	17	;	;	PUNCT
eurjchem-2177	407	18	spackman	spackman	NOUN
eurjchem-2177	407	19	,	,	PUNCT
eurjchem-2177	407	20	m.	m.	NOUN
eurjchem-2177	407	21	a.	a.	PROPN
eurjchem-2177	407	22	j.	j.	PROPN
eurjchem-2177	407	23	phys	phys	PROPN
eurjchem-2177	407	24	.	.	PUNCT
eurjchem-2177	408	1	chem	chem	PROPN
eurjchem-2177	408	2	.	.	PUNCT
eurjchem-2177	409	1	lett	lett	PROPN
eurjchem-2177	409	2	.	.	PROPN
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eurjchem-2177	410	2	,	,	PUNCT
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eurjchem-2177	410	5	24	24	NUM
eurjchem-2177	410	6	)	)	PUNCT
eurjchem-2177	410	7	,	,	PUNCT
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eurjchem-2177	410	9	.	.	PUNCT
eurjchem-2177	411	1	[	[	X
eurjchem-2177	411	2	47	47	NUM
eurjchem-2177	411	3	]	]	PUNCT
eurjchem-2177	411	4	.	.	PUNCT
eurjchem-2177	412	1	spackman	spackman	PROPN
eurjchem-2177	412	2	,	,	PUNCT
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eurjchem-2177	412	5	;	;	PUNCT
eurjchem-2177	412	6	spackman	spackman	NOUN
eurjchem-2177	412	7	,	,	PUNCT
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eurjchem-2177	412	10	;	;	PUNCT
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eurjchem-2177	412	13	s.	s.	PROPN
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eurjchem-2177	414	17	(	(	PUNCT
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eurjchem-2177	414	19	)	)	PUNCT
eurjchem-2177	414	20	(	(	PUNCT
eurjchem-2177	414	21	2021	2021	NUM
eurjchem-2177	414	22	)	)	PUNCT
eurjchem-2177	414	23	419	419	NUM
eurjchem-2177	414	24	-	-	SYM
eurjchem-2177	414	25	431	431	NUM
eurjchem-2177	414	26	431	431	NUM
eurjchem-2177	414	27	2021	2021	NUM
eurjchem-2177	414	28	–	–	PUNCT
eurjchem-2177	414	29	european	european	ADJ
eurjchem-2177	414	30	journal	journal	NOUN
eurjchem-2177	414	31	of	of	ADP
eurjchem-2177	414	32	chemistry	chemistry	NOUN
eurjchem-2177	414	33	–	–	PUNCT
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eurjchem-2177	414	37	–	–	PUNCT
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eurjchem-2177	414	41	/	/	SYM
eurjchem-2177	414	42	eurjchem.12.4.419	eurjchem.12.4.419	NOUN
eurjchem-2177	414	43	-	-	NUM
eurjchem-2177	414	44	431.2177	431.2177	NUM
eurjchem-2177	415	1	[	[	X
eurjchem-2177	415	2	48	48	NUM
eurjchem-2177	415	3	]	]	PUNCT
eurjchem-2177	415	4	.	.	PUNCT
eurjchem-2177	416	1	maginn	maginn	PROPN
eurjchem-2177	416	2	,	,	PUNCT
eurjchem-2177	416	3	s.	s.	PROPN
eurjchem-2177	416	4	j.	j.	PROPN
eurjchem-2177	416	5	j.	j.	PROPN
eurjchem-2177	416	6	appl	appl	PROPN
eurjchem-2177	416	7	.	.	PROPN
eurjchem-2177	417	1	crystallogr	crystallogr	PROPN
eurjchem-2177	417	2	.	.	PUNCT
eurjchem-2177	418	1	1991	1991	NUM
eurjchem-2177	418	2	,	,	PUNCT
eurjchem-2177	418	3	24	24	NUM
eurjchem-2177	418	4	(	(	PUNCT
eurjchem-2177	418	5	3	3	NUM
eurjchem-2177	418	6	)	)	PUNCT
eurjchem-2177	418	7	,	,	PUNCT
eurjchem-2177	418	8	265–265	265–265	NUM
eurjchem-2177	418	9	.	.	PUNCT
eurjchem-2177	419	1	[	[	X
eurjchem-2177	419	2	49	49	NUM
eurjchem-2177	419	3	]	]	PUNCT
eurjchem-2177	419	4	.	.	PUNCT
eurjchem-2177	420	1	martin	martin	PROPN
eurjchem-2177	420	2	,	,	PUNCT
eurjchem-2177	420	3	r.	r.	PROPN
eurjchem-2177	420	4	l.	l.	PROPN
eurjchem-2177	420	5	j.	j.	PROPN
eurjchem-2177	420	6	chem	chem	PROPN
eurjchem-2177	420	7	.	.	PUNCT
eurjchem-2177	421	1	phys	phy	NOUN
eurjchem-2177	421	2	.	.	PUNCT
eurjchem-2177	422	1	2003	2003	NUM
eurjchem-2177	422	2	,	,	PUNCT
eurjchem-2177	422	3	118	118	NUM
eurjchem-2177	422	4	(	(	PUNCT
eurjchem-2177	422	5	11	11	NUM
eurjchem-2177	422	6	)	)	PUNCT
eurjchem-2177	422	7	,	,	PUNCT
eurjchem-2177	422	8	4775–4777	4775–4777	NUM
eurjchem-2177	422	9	.	.	PUNCT
eurjchem-2177	423	1	[	[	X
eurjchem-2177	423	2	50	50	NUM
eurjchem-2177	423	3	]	]	PUNCT
eurjchem-2177	423	4	.	.	PUNCT
eurjchem-2177	424	1	stowasser	stowasser	PROPN
eurjchem-2177	424	2	,	,	PUNCT
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eurjchem-2177	424	4	;	;	PUNCT
eurjchem-2177	424	5	hoffmann	hoffmann	PROPN
eurjchem-2177	424	6	,	,	PUNCT
eurjchem-2177	424	7	r.	r.	PROPN
eurjchem-2177	424	8	j.	j.	PROPN
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eurjchem-2177	424	10	.	.	PUNCT
eurjchem-2177	425	1	chem	chem	PROPN
eurjchem-2177	425	2	.	.	PUNCT
eurjchem-2177	426	1	soc	soc	PROPN
eurjchem-2177	426	2	.	.	PUNCT
eurjchem-2177	427	1	1999	1999	NUM
eurjchem-2177	427	2	,	,	PUNCT
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eurjchem-2177	427	4	(	(	PUNCT
eurjchem-2177	427	5	14	14	NUM
eurjchem-2177	427	6	)	)	PUNCT
eurjchem-2177	427	7	,	,	PUNCT
eurjchem-2177	427	8	3414	3414	NUM
eurjchem-2177	427	9	–	–	PUNCT
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eurjchem-2177	427	11	.	.	PUNCT
eurjchem-2177	428	1	[	[	X
eurjchem-2177	428	2	51	51	NUM
eurjchem-2177	428	3	]	]	PUNCT
eurjchem-2177	428	4	.	.	PUNCT
eurjchem-2177	429	1	zhang	zhang	PROPN
eurjchem-2177	429	2	,	,	PUNCT
eurjchem-2177	429	3	g.	g.	PROPN
eurjchem-2177	429	4	;	;	PUNCT
eurjchem-2177	429	5	musgrave	musgrave	PROPN
eurjchem-2177	429	6	,	,	PUNCT
eurjchem-2177	429	7	c.	c.	PROPN
eurjchem-2177	429	8	b.	b.	PROPN
eurjchem-2177	429	9	j.	j.	PROPN
eurjchem-2177	429	10	phys	phys	PROPN
eurjchem-2177	429	11	.	.	PUNCT
eurjchem-2177	429	12	chem	chem	PROPN
eurjchem-2177	429	13	.	.	PUNCT
eurjchem-2177	430	1	a	a	DET
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eurjchem-2177	430	3	,	,	PUNCT
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eurjchem-2177	430	5	(	(	PUNCT
eurjchem-2177	430	6	8)	8)	NUM
eurjchem-2177	430	7	,	,	PUNCT
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eurjchem-2177	430	9	.	.	PUNCT
eurjchem-2177	431	1	[	[	X
eurjchem-2177	431	2	52	52	NUM
eurjchem-2177	431	3	]	]	PUNCT
eurjchem-2177	431	4	.	.	PUNCT
eurjchem-2177	432	1	zhan	zhan	PROPN
eurjchem-2177	432	2	,	,	PUNCT
eurjchem-2177	432	3	c.-g	c.-g	PROPN
eurjchem-2177	432	4	.	.	PUNCT
eurjchem-2177	432	5	;	;	PUNCT
eurjchem-2177	432	6	nichols	nichols	PROPN
eurjchem-2177	432	7	,	,	PUNCT
eurjchem-2177	432	8	j.	j.	PROPN
eurjchem-2177	432	9	a.	a.	PROPN
eurjchem-2177	432	10	;	;	PUNCT
eurjchem-2177	432	11	dixon	dixon	PROPN
eurjchem-2177	432	12	,	,	PUNCT
eurjchem-2177	432	13	d.	d.	PROPN
eurjchem-2177	432	14	a.	a.	PROPN
eurjchem-2177	432	15	j.	j.	PROPN
eurjchem-2177	432	16	phys	phys	PROPN
eurjchem-2177	432	17	.	.	PUNCT
eurjchem-2177	433	1	chem	chem	PROPN
eurjchem-2177	433	2	.	.	PUNCT
eurjchem-2177	434	1	a	a	DET
eurjchem-2177	434	2	2003	2003	NUM
eurjchem-2177	434	3	,	,	PUNCT
eurjchem-2177	434	4	107	107	NUM
eurjchem-2177	434	5	(	(	PUNCT
eurjchem-2177	434	6	20	20	NUM
eurjchem-2177	434	7	)	)	PUNCT
eurjchem-2177	434	8	,	,	PUNCT
eurjchem-2177	434	9	4184–4195	4184–4195	NUM
eurjchem-2177	434	10	.	.	PUNCT
eurjchem-2177	435	1	[	[	X
eurjchem-2177	435	2	53	53	NUM
eurjchem-2177	435	3	]	]	PUNCT
eurjchem-2177	435	4	.	.	PUNCT
eurjchem-2177	436	1	gunasekaran	gunasekaran	NOUN
eurjchem-2177	436	2	,	,	PUNCT
eurjchem-2177	436	3	s.	s.	PROPN
eurjchem-2177	436	4	;	;	PUNCT
eurjchem-2177	436	5	arun	arun	PROPN
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eurjchem-2177	436	7	,	,	PUNCT
eurjchem-2177	436	8	r.	r.	PROPN
eurjchem-2177	436	9	;	;	PUNCT
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eurjchem-2177	436	11	,	,	PUNCT
eurjchem-2177	436	12	s.	s.	PROPN
eurjchem-2177	436	13	;	;	PUNCT
eurjchem-2177	436	14	anand	anand	PROPN
eurjchem-2177	436	15	,	,	PUNCT
eurjchem-2177	436	16	g.	g.	PROPN
eurjchem-2177	436	17	;	;	PUNCT
eurjchem-2177	436	18	srinivasan	srinivasan	NOUN
eurjchem-2177	436	19	,	,	PUNCT
eurjchem-2177	436	20	s.	s.	PROPN
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eurjchem-2177	436	22	.	.	PUNCT
eurjchem-2177	437	1	j.	j.	PROPN
eurjchem-2177	437	2	anal	anal	PROPN
eurjchem-2177	437	3	.	.	PUNCT
eurjchem-2177	438	1	sci	sci	PROPN
eurjchem-2177	438	2	.	.	PROPN
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eurjchem-2177	438	4	.	.	PUNCT
eurjchem-2177	439	1	2008	2008	NUM
eurjchem-2177	439	2	,	,	PUNCT
eurjchem-2177	439	3	53	53	NUM
eurjchem-2177	439	4	,	,	PUNCT
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eurjchem-2177	439	6	-	-	SYM
eurjchem-2177	439	7	162	162	NUM
eurjchem-2177	439	8	.	.	PUNCT
eurjchem-2177	440	1	[	[	X
eurjchem-2177	440	2	54	54	NUM
eurjchem-2177	440	3	]	]	PUNCT
eurjchem-2177	440	4	.	.	PUNCT
eurjchem-2177	441	1	lewis	lewis	PROPN
eurjchem-2177	441	2	,	,	PUNCT
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eurjchem-2177	441	6	;	;	PUNCT
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eurjchem-2177	441	8	,	,	PUNCT
eurjchem-2177	441	9	c.	c.	PROPN
eurjchem-2177	441	10	;	;	PUNCT
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eurjchem-2177	441	12	,	,	PUNCT
eurjchem-2177	441	13	d.	d.	PROPN
eurjchem-2177	441	14	v.	v.	PROPN
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eurjchem-2177	441	17	,	,	PUNCT
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eurjchem-2177	441	19	(	(	PUNCT
eurjchem-2177	441	20	5	5	NUM
eurjchem-2177	441	21	)	)	PUNCT
eurjchem-2177	441	22	,	,	PUNCT
eurjchem-2177	441	23	401–408	401–408	NUM
eurjchem-2177	441	24	.	.	PUNCT
eurjchem-2177	442	1	[	[	X
eurjchem-2177	442	2	55	55	NUM
eurjchem-2177	442	3	]	]	PUNCT
eurjchem-2177	442	4	.	.	PUNCT
eurjchem-2177	443	1	padmaja	padmaja	PROPN
eurjchem-2177	443	2	,	,	PUNCT
eurjchem-2177	443	3	l.	l.	PROPN
eurjchem-2177	443	4	;	;	PUNCT
eurjchem-2177	443	5	ravikumar	ravikumar	PROPN
eurjchem-2177	443	6	,	,	PUNCT
eurjchem-2177	443	7	c.	c.	PROPN
eurjchem-2177	443	8	;	;	PUNCT
eurjchem-2177	443	9	sajan	sajan	PROPN
eurjchem-2177	443	10	,	,	PUNCT
eurjchem-2177	443	11	d.	d.	PROPN
eurjchem-2177	443	12	;	;	PUNCT
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eurjchem-2177	443	17	;	;	PUNCT
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eurjchem-2177	443	19	,	,	PUNCT
eurjchem-2177	443	20	v.	v.	PROPN
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eurjchem-2177	443	22	;	;	PUNCT
eurjchem-2177	443	23	pettit	pettit	PROPN
eurjchem-2177	443	24	,	,	PUNCT
eurjchem-2177	443	25	g.	g.	PROPN
eurjchem-2177	443	26	r.	r.	PROPN
eurjchem-2177	443	27	;	;	PUNCT
eurjchem-2177	443	28	faurskov	faurskov	PROPN
eurjchem-2177	443	29	nielsen	nielsen	PROPN
eurjchem-2177	443	30	,	,	PUNCT
eurjchem-2177	443	31	o.	o.	PROPN
eurjchem-2177	443	32	j.	j.	PROPN
eurjchem-2177	443	33	raman	raman	PROPN
eurjchem-2177	443	34	spectrosc	spectrosc	PROPN
eurjchem-2177	443	35	.	.	PUNCT
eurjchem-2177	444	1	2009	2009	NUM
eurjchem-2177	444	2	,	,	PUNCT
eurjchem-2177	444	3	40	40	NUM
eurjchem-2177	444	4	(	(	PUNCT
eurjchem-2177	444	5	4	4	NUM
eurjchem-2177	444	6	)	)	PUNCT
eurjchem-2177	444	7	,	,	PUNCT
eurjchem-2177	444	8	419–428	419–428	NUM
eurjchem-2177	444	9	.	.	PUNCT
eurjchem-2177	445	1	[	[	X
eurjchem-2177	445	2	56	56	NUM
eurjchem-2177	445	3	]	]	SYM
eurjchem-2177	445	4	.	.	PUNCT
eurjchem-2177	446	1	ravikumar	ravikumar	PROPN
eurjchem-2177	446	2	,	,	PUNCT
eurjchem-2177	446	3	c.	c.	PROPN
eurjchem-2177	446	4	;	;	PUNCT
eurjchem-2177	446	5	joe	joe	PROPN
eurjchem-2177	446	6	,	,	PUNCT
eurjchem-2177	446	7	i.	i.	PROPN
eurjchem-2177	446	8	h.	h.	PROPN
eurjchem-2177	446	9	;	;	PUNCT
eurjchem-2177	446	10	jayakumar	jayakumar	NOUN
eurjchem-2177	446	11	,	,	PUNCT
eurjchem-2177	446	12	v.	v.	PROPN
eurjchem-2177	446	13	s.	s.	PROPN
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eurjchem-2177	446	15	.	.	PUNCT
eurjchem-2177	447	1	phys	phy	NOUN
eurjchem-2177	447	2	.	.	PUNCT
eurjchem-2177	448	1	lett	lett	PROPN
eurjchem-2177	448	2	.	.	PUNCT
eurjchem-2177	448	3	2008	2008	NUM
eurjchem-2177	448	4	,	,	PUNCT
eurjchem-2177	448	5	460	460	NUM
eurjchem-2177	448	6	(	(	PUNCT
eurjchem-2177	448	7	4–6	4–6	NOUN
eurjchem-2177	448	8	)	)	PUNCT
eurjchem-2177	448	9	,	,	PUNCT
eurjchem-2177	448	10	552–558	552–558	NUM
eurjchem-2177	448	11	.	.	PUNCT
eurjchem-2177	449	1	[	[	X
eurjchem-2177	449	2	57	57	NUM
eurjchem-2177	449	3	]	]	PUNCT
eurjchem-2177	449	4	.	.	PUNCT
eurjchem-2177	450	1	pîrnău	pîrnău	PROPN
eurjchem-2177	450	2	,	,	PUNCT
eurjchem-2177	450	3	a.	a.	NOUN
eurjchem-2177	450	4	;	;	PUNCT
eurjchem-2177	450	5	chiş	chiş	PROPN
eurjchem-2177	450	6	,	,	PUNCT
eurjchem-2177	450	7	v.	v.	PROPN
eurjchem-2177	450	8	;	;	PUNCT
eurjchem-2177	450	9	oniga	oniga	ADV
eurjchem-2177	450	10	,	,	PUNCT
eurjchem-2177	450	11	o.	o.	PROPN
eurjchem-2177	450	12	;	;	PUNCT
eurjchem-2177	450	13	leopold	leopold	PROPN
eurjchem-2177	450	14	,	,	PUNCT
eurjchem-2177	450	15	n.	n.	PROPN
eurjchem-2177	450	16	;	;	PUNCT
eurjchem-2177	450	17	szabo	szabo	PROPN
eurjchem-2177	450	18	,	,	PUNCT
eurjchem-2177	450	19	l.	l.	PROPN
eurjchem-2177	450	20	;	;	PUNCT
eurjchem-2177	450	21	baias	baia	NOUN
eurjchem-2177	450	22	,	,	PUNCT
eurjchem-2177	450	23	m.	m.	NOUN
eurjchem-2177	450	24	;	;	PUNCT
eurjchem-2177	450	25	cozar	cozar	NOUN
eurjchem-2177	450	26	,	,	PUNCT
eurjchem-2177	450	27	o.	o.	PROPN
eurjchem-2177	450	28	vib	vib	PROPN
eurjchem-2177	450	29	.	.	PROPN
eurjchem-2177	450	30	spectrosc	spectrosc	PROPN
eurjchem-2177	450	31	.	.	PUNCT
eurjchem-2177	451	1	2008	2008	NUM
eurjchem-2177	451	2	,	,	PUNCT
eurjchem-2177	451	3	48	48	NUM
eurjchem-2177	451	4	(	(	PUNCT
eurjchem-2177	451	5	2	2	NUM
eurjchem-2177	451	6	)	)	PUNCT
eurjchem-2177	451	7	,	,	PUNCT
eurjchem-2177	451	8	289–296	289–296	NUM
eurjchem-2177	451	9	.	.	PUNCT
eurjchem-2177	452	1	[	[	X
eurjchem-2177	452	2	58	58	NUM
eurjchem-2177	452	3	]	]	PUNCT
eurjchem-2177	452	4	.	.	PUNCT
eurjchem-2177	453	1	liu	liu	PROPN
eurjchem-2177	453	2	,	,	PUNCT
eurjchem-2177	453	3	s.	s.	PROPN
eurjchem-2177	453	4	j.	j.	PROPN
eurjchem-2177	453	5	chem	chem	PROPN
eurjchem-2177	453	6	.	.	PUNCT
eurjchem-2177	454	1	sci	sci	PROPN
eurjchem-2177	454	2	.	.	PUNCT
eurjchem-2177	455	1	(	(	PUNCT
eurjchem-2177	455	2	bangalore	bangalore	PROPN
eurjchem-2177	455	3	)	)	PUNCT
eurjchem-2177	455	4	2005	2005	NUM
eurjchem-2177	455	5	,	,	PUNCT
eurjchem-2177	455	6	117	117	NUM
eurjchem-2177	455	7	(	(	PUNCT
eurjchem-2177	455	8	5	5	NUM
eurjchem-2177	455	9	)	)	PUNCT
eurjchem-2177	455	10	,	,	PUNCT
eurjchem-2177	455	11	477–483	477–483	NUM
eurjchem-2177	455	12	.	.	PUNCT
eurjchem-2177	456	1	[	[	X
eurjchem-2177	456	2	59	59	NUM
eurjchem-2177	456	3	]	]	PUNCT
eurjchem-2177	456	4	.	.	PUNCT
eurjchem-2177	456	5	sharmila	sharmila	PROPN
eurjchem-2177	456	6	tagore	tagore	PROPN
eurjchem-2177	456	7	,	,	PUNCT
eurjchem-2177	456	8	s.	s.	PROPN
eurjchem-2177	456	9	;	;	PUNCT
eurjchem-2177	456	10	swaminathan	swaminathan	ADV
eurjchem-2177	456	11	,	,	PUNCT
eurjchem-2177	456	12	j.	j.	PROPN
eurjchem-2177	456	13	;	;	PUNCT
eurjchem-2177	456	14	manikandan	manikandan	PROPN
eurjchem-2177	456	15	,	,	PUNCT
eurjchem-2177	456	16	d.	d.	PROPN
eurjchem-2177	456	17	;	;	PUNCT
eurjchem-2177	456	18	gomathi	gomathi	PROPN
eurjchem-2177	456	19	,	,	PUNCT
eurjchem-2177	456	20	s.	s.	PROPN
eurjchem-2177	456	21	;	;	PUNCT
eurjchem-2177	456	22	sabarinathan	sabarinathan	PROPN
eurjchem-2177	456	23	,	,	PUNCT
eurjchem-2177	456	24	n.	n.	PROPN
eurjchem-2177	456	25	;	;	PUNCT
eurjchem-2177	456	26	ramalingam	ramalingam	NOUN
eurjchem-2177	456	27	,	,	PUNCT
eurjchem-2177	456	28	m.	m.	NOUN
eurjchem-2177	456	29	;	;	PUNCT
eurjchem-2177	456	30	sethuraman	sethuraman	NOUN
eurjchem-2177	456	31	,	,	PUNCT
eurjchem-2177	456	32	v.	v.	ADP
eurjchem-2177	456	33	heliyon	heliyon	NOUN
eurjchem-2177	456	34	2021	2021	NUM
eurjchem-2177	456	35	,	,	PUNCT
eurjchem-2177	456	36	7	7	NUM
eurjchem-2177	456	37	(	(	PUNCT
eurjchem-2177	456	38	4	4	NUM
eurjchem-2177	456	39	)	)	PUNCT
eurjchem-2177	456	40	,	,	PUNCT
eurjchem-2177	456	41	e06593	e06593	PROPN
eurjchem-2177	456	42	.	.	PUNCT
eurjchem-2177	457	1	copyright	copyright	NOUN
eurjchem-2177	457	2	©	©	PROPN
eurjchem-2177	457	3	2021	2021	NUM
eurjchem-2177	457	4	by	by	ADP
eurjchem-2177	457	5	authors	author	NOUN
eurjchem-2177	457	6	.	.	PUNCT
eurjchem-2177	458	1	this	this	DET
eurjchem-2177	458	2	work	work	NOUN
eurjchem-2177	458	3	is	be	AUX
eurjchem-2177	458	4	published	publish	VERB
eurjchem-2177	458	5	and	and	CCONJ
eurjchem-2177	458	6	licensed	license	VERB
eurjchem-2177	458	7	by	by	ADP
eurjchem-2177	458	8	atlanta	atlanta	PROPN
eurjchem-2177	458	9	publishing	publishing	PROPN
eurjchem-2177	458	10	house	house	PROPN
eurjchem-2177	458	11	llc	llc	PROPN
eurjchem-2177	458	12	,	,	PUNCT
eurjchem-2177	458	13	atlanta	atlanta	PROPN
eurjchem-2177	458	14	,	,	PUNCT
eurjchem-2177	458	15	ga	ga	PROPN
eurjchem-2177	458	16	,	,	PUNCT
eurjchem-2177	458	17	usa	usa	PROPN
eurjchem-2177	458	18	.	.	PUNCT
eurjchem-2177	459	1	the	the	DET
eurjchem-2177	459	2	full	full	ADJ
eurjchem-2177	459	3	terms	term	NOUN
eurjchem-2177	459	4	of	of	ADP
eurjchem-2177	459	5	this	this	DET
eurjchem-2177	459	6	license	license	NOUN
eurjchem-2177	459	7	are	be	AUX
eurjchem-2177	459	8	available	available	ADJ
eurjchem-2177	459	9	at	at	ADP
eurjchem-2177	459	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2177	459	11	and	and	CCONJ
eurjchem-2177	459	12	incorporate	incorporate	VERB
eurjchem-2177	459	13	the	the	DET
eurjchem-2177	459	14	creative	creative	ADJ
eurjchem-2177	459	15	commons	common	NOUN
eurjchem-2177	459	16	attribution	attribution	NOUN
eurjchem-2177	459	17	-	-	PUNCT
eurjchem-2177	459	18	non	non	ADJ
eurjchem-2177	459	19	commercial	commercial	NOUN
eurjchem-2177	459	20	(	(	PUNCT
eurjchem-2177	459	21	cc	cc	NOUN
eurjchem-2177	459	22	by	by	ADP
eurjchem-2177	459	23	nc	nc	PROPN
eurjchem-2177	459	24	)	)	PUNCT
eurjchem-2177	459	25	(	(	PUNCT
eurjchem-2177	459	26	international	international	ADJ
eurjchem-2177	459	27	,	,	PUNCT
eurjchem-2177	459	28	v4.0	v4.0	NOUN
eurjchem-2177	459	29	)	)	PUNCT
eurjchem-2177	459	30	license	license	NOUN
eurjchem-2177	459	31	(	(	PUNCT
eurjchem-2177	459	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2177	459	33	)	)	PUNCT
eurjchem-2177	459	34	.	.	PUNCT
eurjchem-2177	460	1	by	by	ADP
eurjchem-2177	460	2	accessing	access	VERB
eurjchem-2177	460	3	the	the	DET
eurjchem-2177	460	4	work	work	NOUN
eurjchem-2177	460	5	,	,	PUNCT
eurjchem-2177	460	6	you	you	PRON
eurjchem-2177	460	7	hereby	hereby	ADV
eurjchem-2177	460	8	accept	accept	VERB
eurjchem-2177	460	9	the	the	DET
eurjchem-2177	460	10	terms	term	NOUN
eurjchem-2177	460	11	.	.	PUNCT
eurjchem-2177	461	1	this	this	PRON
eurjchem-2177	461	2	is	be	AUX
eurjchem-2177	461	3	an	an	DET
eurjchem-2177	461	4	open	open	ADJ
eurjchem-2177	461	5	access	access	NOUN
eurjchem-2177	461	6	article	article	NOUN
eurjchem-2177	461	7	distributed	distribute	VERB
eurjchem-2177	461	8	under	under	ADP
eurjchem-2177	461	9	the	the	DET
eurjchem-2177	461	10	terms	term	NOUN
eurjchem-2177	461	11	and	and	CCONJ
eurjchem-2177	461	12	conditions	condition	NOUN
eurjchem-2177	461	13	of	of	ADP
eurjchem-2177	461	14	the	the	DET
eurjchem-2177	461	15	cc	cc	PROPN
eurjchem-2177	461	16	by	by	ADP
eurjchem-2177	461	17	nc	nc	PROPN
eurjchem-2177	461	18	license	license	PROPN
eurjchem-2177	461	19	,	,	PUNCT
eurjchem-2177	461	20	which	which	PRON
eurjchem-2177	461	21	permits	permit	VERB
eurjchem-2177	461	22	unrestricted	unrestricted	ADJ
eurjchem-2177	461	23	non	non	ADJ
eurjchem-2177	461	24	-	-	ADJ
eurjchem-2177	461	25	commercial	commercial	ADJ
eurjchem-2177	461	26	use	use	NOUN
eurjchem-2177	461	27	,	,	PUNCT
eurjchem-2177	461	28	distribution	distribution	NOUN
eurjchem-2177	461	29	,	,	PUNCT
eurjchem-2177	461	30	and	and	CCONJ
eurjchem-2177	461	31	reproduction	reproduction	NOUN
eurjchem-2177	461	32	in	in	ADP
eurjchem-2177	461	33	any	any	DET
eurjchem-2177	461	34	medium	medium	NOUN
eurjchem-2177	461	35	,	,	PUNCT
eurjchem-2177	461	36	provided	provide	VERB
eurjchem-2177	461	37	the	the	DET
eurjchem-2177	461	38	original	original	ADJ
eurjchem-2177	461	39	work	work	NOUN
eurjchem-2177	461	40	is	be	AUX
eurjchem-2177	461	41	properly	properly	ADV
eurjchem-2177	461	42	cited	cite	VERB
eurjchem-2177	461	43	without	without	ADP
eurjchem-2177	461	44	any	any	DET
eurjchem-2177	461	45	further	further	ADJ
eurjchem-2177	461	46	permission	permission	NOUN
eurjchem-2177	461	47	from	from	ADP
eurjchem-2177	461	48	atlanta	atlanta	PROPN
eurjchem-2177	461	49	publishing	publishing	PROPN
eurjchem-2177	461	50	house	house	PROPN
eurjchem-2177	461	51	llc	llc	PROPN
eurjchem-2177	461	52	(	(	PUNCT
eurjchem-2177	461	53	european	european	PROPN
eurjchem-2177	461	54	journal	journal	PROPN
eurjchem-2177	461	55	of	of	ADP
eurjchem-2177	461	56	chemistry	chemistry	NOUN
eurjchem-2177	461	57	)	)	PUNCT
eurjchem-2177	461	58	.	.	PUNCT
eurjchem-2177	462	1	no	no	DET
eurjchem-2177	462	2	use	use	NOUN
eurjchem-2177	462	3	,	,	PUNCT
eurjchem-2177	462	4	distribution	distribution	NOUN
eurjchem-2177	462	5	or	or	CCONJ
eurjchem-2177	462	6	reproduction	reproduction	NOUN
eurjchem-2177	462	7	is	be	AUX
eurjchem-2177	462	8	permitted	permit	VERB
eurjchem-2177	462	9	which	which	PRON
eurjchem-2177	462	10	does	do	AUX
eurjchem-2177	462	11	not	not	PART
eurjchem-2177	462	12	comply	comply	VERB
eurjchem-2177	462	13	with	with	ADP
eurjchem-2177	462	14	these	these	DET
eurjchem-2177	462	15	terms	term	NOUN
eurjchem-2177	462	16	.	.	PUNCT
eurjchem-2177	463	1	permissions	permission	NOUN
eurjchem-2177	463	2	for	for	ADP
eurjchem-2177	463	3	commercial	commercial	ADJ
eurjchem-2177	463	4	use	use	NOUN
eurjchem-2177	463	5	of	of	ADP
eurjchem-2177	463	6	this	this	DET
eurjchem-2177	463	7	work	work	NOUN
eurjchem-2177	463	8	beyond	beyond	ADP
eurjchem-2177	463	9	the	the	DET
eurjchem-2177	463	10	scope	scope	NOUN
eurjchem-2177	463	11	of	of	ADP
eurjchem-2177	463	12	the	the	DET
eurjchem-2177	463	13	license	license	NOUN
eurjchem-2177	463	14	(	(	PUNCT
eurjchem-2177	463	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2177	463	16	)	)	PUNCT
eurjchem-2177	463	17	are	be	AUX
eurjchem-2177	463	18	administered	administer	VERB
eurjchem-2177	463	19	by	by	ADP
eurjchem-2177	463	20	atlanta	atlanta	PROPN
eurjchem-2177	463	21	publishing	publishing	PROPN
eurjchem-2177	463	22	house	house	PROPN
eurjchem-2177	463	23	llc	llc	PROPN
eurjchem-2177	463	24	(	(	PUNCT
eurjchem-2177	463	25	european	european	PROPN
eurjchem-2177	463	26	journal	journal	PROPN
eurjchem-2177	463	27	of	of	ADP
eurjchem-2177	463	28	chemistry	chemistry	NOUN
eurjchem-2177	463	29	)	)	PUNCT
eurjchem-2177	463	30	.	.	PUNCT
eurjchem-2177	464	1	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2177	464	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2177	464	3	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2177	464	4	1	1	NUM
eurjchem-2177	464	5	.	.	PUNCT
eurjchem-2177	464	6	introduction	introduction	NOUN
eurjchem-2177	464	7	2	2	NUM
eurjchem-2177	464	8	.	.	PUNCT
eurjchem-2177	464	9	experimental	experimental	ADJ
eurjchem-2177	464	10	2.1	2.1	NUM
eurjchem-2177	464	11	.	.	PUNCT
eurjchem-2177	465	1	crystal	crystal	NOUN
eurjchem-2177	465	2	preparation	preparation	NOUN
eurjchem-2177	465	3	2.2	2.2	NUM
eurjchem-2177	465	4	.	.	PUNCT
eurjchem-2177	466	1	single	single	ADJ
eurjchem-2177	466	2	-	-	PUNCT
eurjchem-2177	466	3	crystal	crystal	NOUN
eurjchem-2177	466	4	x	x	ADJ
eurjchem-2177	466	5	-	-	NOUN
eurjchem-2177	466	6	ray	ray	NOUN
eurjchem-2177	466	7	structure	structure	NOUN
eurjchem-2177	466	8	determination	determination	NOUN
eurjchem-2177	466	9	2.3	2.3	NUM
eurjchem-2177	466	10	.	.	PUNCT
eurjchem-2177	467	1	dft	dft	PROPN
eurjchem-2177	467	2	studies	study	NOUN
eurjchem-2177	467	3	2.4	2.4	NUM
eurjchem-2177	467	4	.	.	PUNCT
eurjchem-2177	468	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	468	2	surface	surface	NOUN
eurjchem-2177	468	3	analysis	analysis	NOUN
eurjchem-2177	468	4	2.4.1	2.4.1	NUM
eurjchem-2177	468	5	.	.	PUNCT
eurjchem-2177	469	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	469	2	surface	surface	PROPN
eurjchem-2177	469	3	2.4.2	2.4.2	NUM
eurjchem-2177	469	4	.	.	PUNCT
eurjchem-2177	470	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	470	2	surface	surface	PROPN
eurjchem-2177	470	3	investigation	investigation	NOUN
eurjchem-2177	470	4	3	3	X
eurjchem-2177	470	5	.	.	NOUN
eurjchem-2177	470	6	results	result	NOUN
eurjchem-2177	470	7	and	and	CCONJ
eurjchem-2177	470	8	discussion	discussion	NOUN
eurjchem-2177	470	9	3.1	3.1	NUM
eurjchem-2177	470	10	.	.	PUNCT
eurjchem-2177	471	1	crystal	crystal	NOUN
eurjchem-2177	471	2	structure	structure	NOUN
eurjchem-2177	471	3	analysis	analysis	NOUN
eurjchem-2177	471	4	3.1.1	3.1.1	NUM
eurjchem-2177	471	5	.	.	PUNCT
eurjchem-2177	472	1	molecular	molecular	ADJ
eurjchem-2177	472	2	geometry	geometry	NOUN
eurjchem-2177	472	3	3.1.2	3.1.2	NUM
eurjchem-2177	472	4	.	.	PUNCT
eurjchem-2177	472	5	supramolecular	supramolecular	ADJ
eurjchem-2177	472	6	features	feature	VERB
eurjchem-2177	472	7	3.2	3.2	NUM
eurjchem-2177	472	8	.	.	PUNCT
eurjchem-2177	473	1	computational	computational	ADJ
eurjchem-2177	473	2	studies	study	NOUN
eurjchem-2177	473	3	of	of	ADP
eurjchem-2177	473	4	psma	psma	PROPN
eurjchem-2177	473	5	3.3	3.3	NUM
eurjchem-2177	473	6	.	.	PUNCT
eurjchem-2177	474	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	474	2	surface	surface	NOUN
eurjchem-2177	474	3	analysis	analysis	NOUN
eurjchem-2177	474	4	3.3.1	3.3.1	NUM
eurjchem-2177	474	5	.	.	PUNCT
eurjchem-2177	475	1	hirshfeld	hirshfeld	PROPN
eurjchem-2177	475	2	surface	surface	PROPN
eurjchem-2177	475	3	(	(	PUNCT
eurjchem-2177	475	4	hs	hs	NOUN
eurjchem-2177	475	5	)	)	PUNCT
eurjchem-2177	475	6	mapping	mapping	NOUN
eurjchem-2177	475	7	of	of	ADP
eurjchem-2177	475	8	psma	psma	PROPN
eurjchem-2177	475	9	3.3.2	3.3.2	NUM
eurjchem-2177	475	10	.	.	PUNCT
eurjchem-2177	476	1	electron	electron	NOUN
eurjchem-2177	476	2	density	density	NOUN
eurjchem-2177	476	3	3.3.3	3.3.3	PROPN
eurjchem-2177	476	4	.	.	PUNCT
eurjchem-2177	477	1	electrostatic	electrostatic	ADJ
eurjchem-2177	477	2	deformation	deformation	NOUN
eurjchem-2177	477	3	density	density	NOUN
eurjchem-2177	477	4	3.3.4	3.3.4	PROPN
eurjchem-2177	477	5	.	.	PUNCT
eurjchem-2177	478	1	fingerprint	fingerprint	NOUN
eurjchem-2177	478	2	plots	plot	NOUN
eurjchem-2177	478	3	3.3.5	3.3.5	NUM
eurjchem-2177	478	4	.	.	PUNCT
eurjchem-2177	479	1	interaction	interaction	NOUN
eurjchem-2177	479	2	energies	energy	NOUN
eurjchem-2177	479	3	and	and	CCONJ
eurjchem-2177	479	4	energy	energy	NOUN
eurjchem-2177	479	5	framework	framework	NOUN
eurjchem-2177	479	6	3.4	3.4	NUM
eurjchem-2177	479	7	.	.	PUNCT
eurjchem-2177	480	1	electronic	electronic	ADJ
eurjchem-2177	480	2	spectral	spectral	ADJ
eurjchem-2177	480	3	analysis	analysis	NOUN
eurjchem-2177	480	4	of	of	ADP
eurjchem-2177	480	5	psma	psma	NOUN
eurjchem-2177	480	6	3.5	3.5	NUM
eurjchem-2177	480	7	.	.	PUNCT
eurjchem-2177	481	1	frontier	frontier	NOUN
eurjchem-2177	481	2	molecular	molecular	ADJ
eurjchem-2177	481	3	orbital	orbital	ADJ
eurjchem-2177	481	4	studies	study	NOUN
eurjchem-2177	481	5	4	4	NUM
eurjchem-2177	481	6	.	.	PUNCT
eurjchem-2177	482	1	conclusions	conclusion	NOUN
eurjchem-2177	482	2	acknowledgements	acknowledgement	NOUN
eurjchem-2177	482	3	supporting	support	VERB
eurjchem-2177	482	4	information	information	NOUN
eurjchem-2177	482	5	disclosure	disclosure	NOUN
eurjchem-2177	482	6	statement	statement	NOUN
eurjchem-2177	482	7	orcid	orcid	PROPN
eurjchem-2177	482	8	references	reference	NOUN
eurjchem-2177	482	9	printfield10	printfield10	NOUN
eurjchem-2177	482	10	:	:	PUNCT
eurjchem-2177	482	11	printfield11	printfield11	NOUN
eurjchem-2177	482	12	:	:	PUNCT
eurjchem-2177	482	13	printfield12	printfield12	PROPN
eurjchem-2177	482	14	:	:	PUNCT
eurjchem-2177	482	15	printfield13	printfield13	VERB
eurjchem-2177	482	16	:	:	PUNCT
eurjchem-2177	482	17	printfield14	printfield14	NOUN
eurjchem-2177	482	18	:	:	PUNCT
eurjchem-2177	482	19	printfield15	printfield15	NOUN
eurjchem-2177	482	20	:	:	PUNCT
eurjchem-2177	482	21	printfield16	printfield16	ADJ
eurjchem-2177	482	22	:	:	PUNCT
eurjchem-2177	482	23	printfield17	printfield17	NOUN
eurjchem-2177	482	24	:	:	PUNCT
eurjchem-2177	482	25	printfield18	printfield18	NOUN
eurjchem-2177	482	26	:	:	PUNCT
eurjchem-2177	482	27	printfield19	printfield19	NOUN
eurjchem-2177	482	28	:	:	PUNCT
eurjchem-2177	482	29	printfield110	printfield110	PROPN
eurjchem-2177	482	30	:	:	PUNCT
eurjchem-2177	482	31	printfield111	printfield111	PROPN
eurjchem-2177	482	32	:	:	PUNCT
eurjchem-2177	482	33	printfield112	printfield112	PROPN
eurjchem-2177	482	34	:	:	PUNCT
eurjchem-2177	482	35	printfield20	printfield20	PROPN
eurjchem-2177	482	36	:	:	PUNCT
eurjchem-2177	482	37	printfield21	printfield21	ADJ
eurjchem-2177	482	38	:	:	PUNCT
eurjchem-2177	482	39	printfield22	printfield22	NOUN
eurjchem-2177	482	40	:	:	PUNCT
eurjchem-2177	482	41	printfield23	printfield23	NOUN
eurjchem-2177	482	42	:	:	PUNCT
eurjchem-2177	482	43	printfield24	printfield24	NOUN
eurjchem-2177	482	44	:	:	PUNCT
eurjchem-2177	482	45	printfield25	printfield25	NOUN
eurjchem-2177	482	46	:	:	PUNCT
eurjchem-2177	482	47	printfield26	printfield26	ADJ
eurjchem-2177	482	48	:	:	PUNCT
eurjchem-2177	482	49	printfield27	printfield27	NOUN
eurjchem-2177	482	50	:	:	PUNCT
eurjchem-2177	482	51	printfield28	printfield28	NOUN
eurjchem-2177	482	52	:	:	PUNCT
eurjchem-2177	482	53	printfield29	printfield29	ADV
eurjchem-2177	482	54	:	:	PUNCT
eurjchem-2177	482	55	printfield210	printfield210	PROPN
eurjchem-2177	482	56	:	:	PUNCT
eurjchem-2177	482	57	printfield211	printfield211	PROPN
eurjchem-2177	482	58	:	:	PUNCT
eurjchem-2177	482	59	printfield212	printfield212	PROPN
eurjchem-2177	482	60	:	:	PUNCT