id	sid	eid	entity	type
eurjchem-827	1	1	european journal of chemistry	ORG
eurjchem-827	1	2	4	CARDINAL
eurjchem-827	1	3	3	CARDINAL
eurjchem-827	1	4	2013	DATE
eurjchem-827	1	5	285‐291	CARDINAL
eurjchem-827	1	6	2153‐2249	CARDINAL
eurjchem-827	1	7	2153‐2257	CARDINAL
eurjchem-827	1	8	 2013	DATE
eurjchem-827	1	9	doi:10.5155/eurjchem.4.3.285‐291.827 european journal of chemistry journal	ORG
eurjchem-827	1	10	manganese(ii	GPE
eurjchem-827	1	11	cobalt(ii	PERSON
eurjchem-827	1	12	1,2,4‐triazole	CARDINAL
eurjchem-827	1	13	maamar hamdi	PERSON
eurjchem-827	1	14	samia khabouche	PERSON
eurjchem-827	2	1	djaffar kheffache c	ORG
eurjchem-827	2	2	sofiane moussi	PERSON
eurjchem-827	3	1	appliquée	ORG
eurjchem-827	3	2	faculté de chimie	ORG
eurjchem-827	3	3	bp32	ORG
eurjchem-827	3	4	el alia	GPE
eurjchem-827	3	5	bab ezzouar	PERSON
eurjchem-827	3	6	algeria	GPE
eurjchem-827	3	7	laboratoire	ORG
eurjchem-827	3	8	d’hydrométallurgie et chimie inorganique moléculaire	ORG
eurjchem-827	3	9	faculté de chimie	ORG
eurjchem-827	3	10	bp32	ORG
eurjchem-827	3	11	el alia	GPE
eurjchem-827	3	12	bab ezzouar	PERSON
eurjchem-827	3	13	algeria	GPE
eurjchem-827	3	14	laboratoire de chimie théorique	ORG
eurjchem-827	3	15	photonique	GPE
eurjchem-827	3	16	faculté de chimie	ORG
eurjchem-827	3	17	32	CARDINAL
eurjchem-827	3	18	el alia	GPE
eurjchem-827	3	19	bab ezzouar	PERSON
eurjchem-827	3	20	algeria	GPE
eurjchem-827	3	21	laboratoire	ORG
eurjchem-827	3	22	faculté de chimie	ORG
eurjchem-827	3	23	bp32	ORG
eurjchem-827	3	24	el alia	GPE
eurjchem-827	3	25	bab ezzouar	PERSON
eurjchem-827	3	26	algeria	GPE
eurjchem-827	6	1	o.b.	GPE
eurjchem-827	6	2	baitich	PERSON
eurjchem-827	7	1	12 may 2013	DATE
eurjchem-827	7	2	17	CARDINAL
eurjchem-827	7	3	2013	DATE
eurjchem-827	7	4	31	CARDINAL
eurjchem-827	7	5	december 2013	DATE
eurjchem-827	7	6	dft	ORG
eurjchem-827	7	7	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐3‐thione	CARDINAL
eurjchem-827	8	1	ft‐ir	ORG
eurjchem-827	9	1	water‐ethanol	GPE
eurjchem-827	9	2	90:10	PERSON
eurjchem-827	11	1	dft	ORG
eurjchem-827	12	1	1,2,4‐triazole	CARDINAL
eurjchem-827	12	2	1	CARDINAL
eurjchem-827	12	3	1,2,4‐triazole	CARDINAL
eurjchem-827	12	4	1	CARDINAL
eurjchem-827	13	1	1,2,4‐triazoles	CARDINAL
eurjchem-827	15	1	1,2,4‐triazole	CARDINAL
eurjchem-827	15	2	4‐amino‐5‐(2‐	CARDINAL
eurjchem-827	15	3	8	CARDINAL
eurjchem-827	16	1	1	CARDINAL
eurjchem-827	16	2	1	CARDINAL
eurjchem-827	17	1	9	CARDINAL
eurjchem-827	20	1	4‐amino‐5‐(2‐	CARDINAL
eurjchem-827	21	1	10,11	CARDINAL
eurjchem-827	23	1	nh2	PERSON
eurjchem-827	23	2	1	CARDINAL
eurjchem-827	23	3	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐	CARDINAL
eurjchem-827	23	4	12	CARDINAL
eurjchem-827	24	1	13	CARDINAL
eurjchem-827	25	1	two	CARDINAL
eurjchem-827	25	2	dft	ORG
eurjchem-827	28	1	286	CARDINAL
eurjchem-827	28	2	4	CARDINAL
eurjchem-827	28	3	3	CARDINAL
eurjchem-827	28	4	2013	DATE
eurjchem-827	28	5	285‐291	CARDINAL
eurjchem-827	29	1	2	CARDINAL
eurjchem-827	29	2	2.1	CARDINAL
eurjchem-827	29	3	aldrich	PERSON
eurjchem-827	30	1	merck	ORG
eurjchem-827	31	1	0.1	CARDINAL
eurjchem-827	31	2	0.1 m	QUANTITY
eurjchem-827	32	1	2.2	CARDINAL
eurjchem-827	32	2	20	CARDINAL
eurjchem-827	32	3	2450	CARDINAL
eurjchem-827	32	4	w.	PRODUCT
eurjchem-827	33	1	perkin elmer	PERSON
eurjchem-827	33	2	kbr	PERSON
eurjchem-827	34	1	jasco	PERSON
eurjchem-827	34	2	560	CARDINAL
eurjchem-827	34	3	0.5 cm	QUANTITY
eurjchem-827	34	4	400‐200	CARDINAL
eurjchem-827	35	1	1h	CARDINAL
eurjchem-827	35	2	13c	CARDINAL
eurjchem-827	35	3	300	CARDINAL
eurjchem-827	35	4	300.13	CARDINAL
eurjchem-827	35	5	1h	CARDINAL
eurjchem-827	35	6	75.47	CARDINAL
eurjchem-827	35	7	13c	CARDINAL
eurjchem-827	37	1	1	CARDINAL
eurjchem-827	37	2	1	CARDINAL
eurjchem-827	37	3	2‐hydroxy	CARDINAL
eurjchem-827	37	4	2	CARDINAL
eurjchem-827	37	5	methyl‐2‐hydroxybenzoate	DATE
eurjchem-827	37	6	1	CARDINAL
eurjchem-827	38	1	20 min	DATE
eurjchem-827	38	2	6 hours	TIME
eurjchem-827	39	1	3	CARDINAL
eurjchem-827	40	1	3	CARDINAL
eurjchem-827	40	2	only one	CARDINAL
eurjchem-827	42	1	209	CARDINAL
eurjchem-827	42	2	231	CARDINAL
eurjchem-827	43	1	4‐amino‐5‐(2‐hydroxy	CARDINAL
eurjchem-827	43	2	4	DATE
eurjchem-827	43	3	2‐(2‐hydroxy	CARDINAL
eurjchem-827	43	4	3	CARDINAL
eurjchem-827	43	5	10	CARDINAL
eurjchem-827	43	6	98%	PERCENT
eurjchem-827	43	7	20	CARDINAL
eurjchem-827	43	8	10 ml	QUANTITY
eurjchem-827	44	1	300	CARDINAL
eurjchem-827	44	2	5 min	DATE
eurjchem-827	45	1	50	CARDINAL
eurjchem-827	48	1	4‐amino‐5‐(2‐hydroxyphenyl)‐2,4‐dihydro‐3h‐1,2,4‐triazole‐ 3‐thione	CARDINAL
eurjchem-827	48	2	4	CARDINAL
eurjchem-827	48	3	65%	PERCENT
eurjchem-827	49	1	m.p.	PERSON
eurjchem-827	50	1	205 °	QUANTITY
eurjchem-827	51	1	kbr	ORG
eurjchem-827	51	2	3467	DATE
eurjchem-827	51	3	3293‐3197	CARDINAL
eurjchem-827	51	4	nh2	ORG
eurjchem-827	51	5	1611	DATE
eurjchem-827	51	6	1302	DATE
eurjchem-827	52	1	340	CARDINAL
eurjchem-827	52	2	1600	CARDINAL
eurjchem-827	52	3	318	CARDINAL
eurjchem-827	52	4	8700	CARDINAL
eurjchem-827	52	5	290	CARDINAL
eurjchem-827	52	6	11600	DATE
eurjchem-827	52	7	252	CARDINAL
eurjchem-827	52	8	23100	DATE
eurjchem-827	53	1	1h	CARDINAL
eurjchem-827	53	2	300	CARDINAL
eurjchem-827	53	3	5.6	CARDINAL
eurjchem-827	53	4	nh2	PERSON
eurjchem-827	53	5	6.69‐7.43	CARDINAL
eurjchem-827	53	6	4h	CARDINAL
eurjchem-827	53	7	10.39	CARDINAL
eurjchem-827	53	8	1h	CARDINAL
eurjchem-827	53	9	13.85	CARDINAL
eurjchem-827	53	10	1h	CARDINAL
eurjchem-827	54	1	13c	CARDINAL
eurjchem-827	54	2	75.5	CARDINAL
eurjchem-827	54	3	113.4	CARDINAL
eurjchem-827	54	4	116.6	CARDINAL
eurjchem-827	54	5	119.5	CARDINAL
eurjchem-827	54	6	131.2	CARDINAL
eurjchem-827	54	7	132.6	CARDINAL
eurjchem-827	54	8	149.5	CARDINAL
eurjchem-827	54	9	156.4	CARDINAL
eurjchem-827	54	10	165.4	CARDINAL
eurjchem-827	54	11	135	CARDINAL
eurjchem-827	54	12	116.6	CARDINAL
eurjchem-827	54	13	119.5	CARDINAL
eurjchem-827	54	14	131.2	CARDINAL
eurjchem-827	54	15	132.6	CARDINAL
eurjchem-827	55	1	calcd	PERSON
eurjchem-827	56	1	46.14	CARDINAL
eurjchem-827	56	2	3.87	CARDINAL
eurjchem-827	56	3	26.90	CARDINAL
eurjchem-827	57	1	46.20	CARDINAL
eurjchem-827	57	2	3.82	CARDINAL
eurjchem-827	57	3	26.86%	PERCENT
eurjchem-827	58	1	2.3	CARDINAL
eurjchem-827	59	1	90:10	PERSON
eurjchem-827	59	2	0.2 mol/l	QUANTITY
eurjchem-827	59	3	0.01 mol/l	QUANTITY
eurjchem-827	59	4	25.0±0.1 °	QUANTITY
eurjchem-827	60	1	0.1 mol/l	QUANTITY
eurjchem-827	60	2	schott	ORG
eurjchem-827	61	1	water‐ethanol	GPE
eurjchem-827	61	2	90:10	PERSON
eurjchem-827	61	3	0.02	CARDINAL
eurjchem-827	62	1	10%	PERCENT
eurjchem-827	62	2	14	CARDINAL
eurjchem-827	63	1	5.10‐4	CARDINAL
eurjchem-827	63	2	1:2	CARDINAL
eurjchem-827	64	1	15	CARDINAL
eurjchem-827	66	1	2.4	CARDINAL
eurjchem-827	68	1	16,17	CARDINAL
eurjchem-827	68	2	18	CARDINAL
eurjchem-827	69	1	6‐31+g(d	CARDINAL
eurjchem-827	71	1	19	CARDINAL
eurjchem-827	73	1	20	CARDINAL
eurjchem-827	74	1	b)‐δg	PRODUCT
eurjchem-827	74	2		ORG
eurjchem-827	74	3	1	CARDINAL
eurjchem-827	74	4	s‐h	GPE
eurjchem-827	74	5	21	CARDINAL
eurjchem-827	75	1	ten	CARDINAL
eurjchem-827	76	1	6‐31g(d	CARDINAL
eurjchem-827	77	1	lechani et al	PERSON
eurjchem-827	77	2	4	CARDINAL
eurjchem-827	77	3	3	CARDINAL
eurjchem-827	77	4	2013	DATE
eurjchem-827	77	5	285‐291	CARDINAL
eurjchem-827	77	6	2	CARDINAL
eurjchem-827	79	1	3	CARDINAL
eurjchem-827	79	2	3.1	CARDINAL
eurjchem-827	80	1	1,2,4‐triazole	CARDINAL
eurjchem-827	81	1	4	CARDINAL
eurjchem-827	81	2	4	CARDINAL
eurjchem-827	82	1	kbr	PERSON
eurjchem-827	82	2	1h	CARDINAL
eurjchem-827	82	3	13c	CARDINAL
eurjchem-827	83	1	kbr	PERSON
eurjchem-827	83	2	1302	CARDINAL
eurjchem-827	83	3	s‐h	GPE
eurjchem-827	84	1	340	CARDINAL
eurjchem-827	85	1	the s‐h group	ORG
eurjchem-827	86	1	1h	CARDINAL
eurjchem-827	86	2	10.39	CARDINAL
eurjchem-827	86	3	13.85 ppm	MONEY
eurjchem-827	87	1	13c	CARDINAL
eurjchem-827	87	2	2‐substituted	CARDINAL
eurjchem-827	87	3	135	CARDINAL
eurjchem-827	87	4	116.6	CARDINAL
eurjchem-827	87	5	119.5	CARDINAL
eurjchem-827	87	6	131.2	CARDINAL
eurjchem-827	87	7	132.6	CARDINAL
eurjchem-827	88	1	156.4	CARDINAL
eurjchem-827	88	2	149.5 ppm	CARDINAL
eurjchem-827	89	1	9	CARDINAL
eurjchem-827	89	2	one	CARDINAL
eurjchem-827	90	1	two	CARDINAL
eurjchem-827	91	1	3.2	CARDINAL
eurjchem-827	91	2	dft	ORG
eurjchem-827	92	1	two	CARDINAL
eurjchem-827	92	2	two	CARDINAL
eurjchem-827	92	3	r2	GPE
eurjchem-827	93	1	c2‐c7	GPE
eurjchem-827	93	2	2	CARDINAL
eurjchem-827	94	1	1	CARDINAL
eurjchem-827	95	1	first	ORDINAL
eurjchem-827	95	2	1.61 kcal	QUANTITY
eurjchem-827	96	1	dft	ORG
eurjchem-827	97	1	9	CARDINAL
eurjchem-827	99	1	9	CARDINAL
eurjchem-827	99	2	dft	ORG
eurjchem-827	100	1	about 12.23 kcal	QUANTITY
eurjchem-827	101	1	one	CARDINAL
eurjchem-827	102	1	78.5	TIME
eurjchem-827	102	2	31+g(d	CARDINAL
eurjchem-827	102	3	1	CARDINAL
eurjchem-827	103	1	288	CARDINAL
eurjchem-827	103	2	4	CARDINAL
eurjchem-827	103	3	3	CARDINAL
eurjchem-827	103	4	2013	DATE
eurjchem-827	103	5	285‐291	CARDINAL
eurjchem-827	103	6	1	CARDINAL
eurjchem-827	103	7	a.u.	GPE
eurjchem-827	104	1	b3lyp/6‐31+g(d	PRODUCT
eurjchem-827	105	1	8.15	CARDINAL
eurjchem-827	105	2	‐1001.908315 18.34 4.73 ‐1002.095605	QUANTITY
eurjchem-827	105	3	6.88	CARDINAL
eurjchem-827	105	4	18.26	CARDINAL
eurjchem-827	105	5	16.07 ‐7.26	DATE
eurjchem-827	105	6	11.48	CARDINAL
eurjchem-827	105	7	thiol‐3‐r2	ORG
eurjchem-827	105	8	17.93	CARDINAL
eurjchem-827	105	9	16.22	CARDINAL
eurjchem-827	105	10	8.87	CARDINAL
eurjchem-827	105	11	00.40 ‐2.62	DATE
eurjchem-827	105	12	2.77	CARDINAL
eurjchem-827	105	13	2.56	MONEY
eurjchem-827	105	14	00.00 ‐4.18 3.74	PERCENT
eurjchem-827	105	15	‐1001.921485	CARDINAL
eurjchem-827	105	16	11.11	CARDINAL
eurjchem-827	105	17	2	CARDINAL
eurjchem-827	105	18	b3lyp/6‐31+g(d	ORG
eurjchem-827	106	1	2	CARDINAL
eurjchem-827	109	1	1.667	CARDINAL
eurjchem-827	109	2	127.4 125.9	CARDINAL
eurjchem-827	109	3	0.003	CARDINAL
eurjchem-827	109	4	10.9	MONEY
eurjchem-827	109	5	1.463 ‐	QUANTITY
eurjchem-827	109	6	113.7 112.9	CARDINAL
eurjchem-827	109	7	1.397 1.399	CARDINAL
eurjchem-827	109	8	143.4	CARDINAL
eurjchem-827	109	9	140.2	CARDINAL
eurjchem-827	109	10	1.766 1.893	CARDINAL
eurjchem-827	109	11	88.8 108.3	CARDINAL
eurjchem-827	109	12	3.029	CARDINAL
eurjchem-827	109	13	2.734	PRODUCT
eurjchem-827	109	14	126.6 125.2	CARDINAL
eurjchem-827	109	15	2.265 2.352	CARDINAL
eurjchem-827	109	16	127.4 125.9	CARDINAL
eurjchem-827	110	1	9	CARDINAL
eurjchem-827	114	1	1,2,4‐triazole‐3‐thione	CARDINAL
eurjchem-827	114	2	two	CARDINAL
eurjchem-827	115	1	b3lyp/6‐31+g(d	PRODUCT
eurjchem-827	115	2	2	CARDINAL
eurjchem-827	116	1	dincer et al	PERSON
eurjchem-827	117	1	9	CARDINAL
eurjchem-827	119	1	c8	DATE
eurjchem-827	119	2	1.677 å	MONEY
eurjchem-827	119	3	1.667	CARDINAL
eurjchem-827	119	4	b3lyp/6‐31+g(d	PRODUCT
eurjchem-827	120	1	2	CARDINAL
eurjchem-827	120	2	1,2,4‐triazole	CARDINAL
eurjchem-827	121	1	10.9 °	QUANTITY
eurjchem-827	121	2	0.003 °	QUANTITY
eurjchem-827	124	1	three	CARDINAL
eurjchem-827	124	2	c‐h∙∙∙∙n4	PERSON
eurjchem-827	124	3	bifurcated n4‐h∙∙∙∙s h‐bonds	PERSON
eurjchem-827	125	1	c‐h∙∙∙∙n4	PERSON
eurjchem-827	125	2	n4‐h∙∙∙∙s	PERSON
eurjchem-827	125	3	1.893	CARDINAL
eurjchem-827	125	4	2.352	CARDINAL
eurjchem-827	125	5	2.734	CARDINAL
eurjchem-827	125	6	1.766	CARDINAL
eurjchem-827	125	7	2.266	CARDINAL
eurjchem-827	125	8	3.029	CARDINAL
eurjchem-827	125	9	b3lyp/6‐31+g(d	PRODUCT
eurjchem-827	126	1	3.3	CARDINAL
eurjchem-827	127	1	three	CARDINAL
eurjchem-827	127	2	5.4‐8.0	CARDINAL
eurjchem-827	127	3	9.5	CARDINAL
eurjchem-827	128	1	three	CARDINAL
eurjchem-827	129	1	only two	CARDINAL
eurjchem-827	130	1	the sirko program	ORG
eurjchem-827	130	2	qh+ + rl2‐	DATE
eurjchem-827	130	3	2	CARDINAL
eurjchem-827	130	4	3	CARDINAL
eurjchem-827	130	5	hl‐	GPE
eurjchem-827	131	1	3	CARDINAL
eurjchem-827	131	2	3	CARDINAL
eurjchem-827	134	1	two	CARDINAL
eurjchem-827	135	1	3.72	CARDINAL
eurjchem-827	135	2	two	CARDINAL
eurjchem-827	135	3	7.54	CARDINAL
eurjchem-827	135	4	9.77	CARDINAL
eurjchem-827	136	1	third	ORDINAL
eurjchem-827	136	2	9.77	CARDINAL
eurjchem-827	137	1	lechani et al	PERSON
eurjchem-827	137	2	4	CARDINAL
eurjchem-827	137	3	3	CARDINAL
eurjchem-827	137	4	2013	DATE
eurjchem-827	137	5	285‐291 289	CARDINAL
eurjchem-827	137	6	3	CARDINAL
eurjchem-827	137	7	log ki	PERSON
eurjchem-827	139	1	1 1	CARDINAL
eurjchem-827	139	2	7.54	CARDINAL
eurjchem-827	139	3	9.77	CARDINAL
eurjchem-827	140	1	4	CARDINAL
eurjchem-827	143	1	4	CARDINAL
eurjchem-827	144	1	second	ORDINAL
eurjchem-827	144	2	7.54	CARDINAL
eurjchem-827	144	3	the nh group	ORG
eurjchem-827	145	1	first	ORDINAL
eurjchem-827	145	2	3.72	CARDINAL
eurjchem-827	147	1	3.4	CARDINAL
eurjchem-827	147	2	1	CARDINAL
eurjchem-827	148	1	4	CARDINAL
eurjchem-827	149	1	4	CARDINAL
eurjchem-827	150	1	4	CARDINAL
eurjchem-827	150	2	9.77	CARDINAL
eurjchem-827	151	1	7.54	CARDINAL
eurjchem-827	151	2	5.93	CARDINAL
eurjchem-827	151	3	7.87	CARDINAL
eurjchem-827	151	4	0.33 to 1.61	CARDINAL
eurjchem-827	152	1	7.33	CARDINAL
eurjchem-827	154	1	nh2	ORG
eurjchem-827	155	1	4‐amino‐3‐methyl‐	CARDINAL
eurjchem-827	155	2	22	CARDINAL
eurjchem-827	156	1	3.72	CARDINAL
eurjchem-827	157	1	n2	ORG
eurjchem-827	158	1	3.72	CARDINAL
eurjchem-827	159	1	3.5	CARDINAL
eurjchem-827	160	1	manganese(ii	GPE
eurjchem-827	160	2	cobalt(ii	PERSON
eurjchem-827	161	1	the sirko program	ORG
eurjchem-827	161	2	pm2	PERSON
eurjchem-827	161	3	+ + qh+ + rl2‐	DATE
eurjchem-827	161	4	3	CARDINAL
eurjchem-827	161	5	5	CARDINAL
eurjchem-827	162	1	at least two	CARDINAL
eurjchem-827	165	1	4	CARDINAL
eurjchem-827	169	1	3.6	CARDINAL
eurjchem-827	170	1	dft	ORG
eurjchem-827	172	1	monoanionic	NORP
eurjchem-827	173	1	water‐ethanol	GPE
eurjchem-827	173	2	90:10	PERSON
eurjchem-827	177	1	290	CARDINAL
eurjchem-827	177	2	lechani et al	PERSON
eurjchem-827	177	3	4	CARDINAL
eurjchem-827	177	4	3	CARDINAL
eurjchem-827	177	5	2013	DATE
eurjchem-827	177	6	285‐291	CARDINAL
eurjchem-827	177	7	5	CARDINAL
eurjchem-827	178	1	6	CARDINAL
eurjchem-827	179	1	first	ORDINAL
eurjchem-827	181	1	6	CARDINAL
eurjchem-827	181	2	quantum	ORG
eurjchem-827	182	1	5	CARDINAL
eurjchem-827	183	1	mn	GPE
eurjchem-827	183	2	5	CARDINAL
eurjchem-827	184	1	2.118 å	MONEY
eurjchem-827	184	2	2.179	CARDINAL
eurjchem-827	186	1	86.6 °	QUANTITY
eurjchem-827	186	2	87.0 °	QUANTITY
eurjchem-827	187	1	23	CARDINAL
eurjchem-827	188	1	4.	CARDINAL
eurjchem-827	188	2	4‐amino‐5‐(2‐hydroyphenyl)‐2,4‐dihydro‐	CARDINAL
eurjchem-827	188	3	1h	CARDINAL
eurjchem-827	188	4	13c	CARDINAL
eurjchem-827	189	1	dft	ORG
eurjchem-827	189	2	two	CARDINAL
eurjchem-827	189	3	31+g(d	CARDINAL
eurjchem-827	190	1	lechani et al	PERSON
eurjchem-827	190	2	4	CARDINAL
eurjchem-827	190	3	3	CARDINAL
eurjchem-827	190	4	2013	DATE
eurjchem-827	190	5	285‐291 291	CARDINAL
eurjchem-827	190	6	5	CARDINAL
eurjchem-827	191	1	2	CARDINAL
eurjchem-827	192	1	2.351	CARDINAL
eurjchem-827	192	2	2.108 2.045	CARDINAL
eurjchem-827	192	3	1.754	CARDINAL
eurjchem-827	192	4	1.417 1.416	CARDINAL
eurjchem-827	192	5	1.875	CARDINAL
eurjchem-827	192	6	2.104	CARDINAL
eurjchem-827	192	7	2.030	MONEY
eurjchem-827	192	8	2.136	CARDINAL
eurjchem-827	192	9	2.070	MONEY
eurjchem-827	192	10	2.123 2.269	CARDINAL
eurjchem-827	192	11	2.110 2.346	CARDINAL
eurjchem-827	192	12	86.6 87.0	CARDINAL
eurjchem-827	192	13	dft	ORG
eurjchem-827	193	1	dft	ORG
eurjchem-827	193	2	three	CARDINAL
eurjchem-827	194	1	water‐ethanol	GPE
eurjchem-827	194	2	90:10	PERSON
eurjchem-827	194	3	3.7	CARDINAL
eurjchem-827	194	4	7.5	CARDINAL
eurjchem-827	194	5	9.7	CARDINAL
eurjchem-827	195	1	b3lyp/6‐31+g(d	ORG
eurjchem-827	199	1	dft	ORG
eurjchem-827	200	1	1	CARDINAL
eurjchem-827	201	1	liu	PERSON
eurjchem-827	201	2	k.; shi	PERSON
eurjchem-827	201	3	w.	PERSON
eurjchem-827	201	4	cheng	PERSON
eurjchem-827	201	5	p. dalton trans. 2011,	PERSON
eurjchem-827	202	1	2	CARDINAL
eurjchem-827	202	2	e.; gaidelis	PERSON
eurjchem-827	202	3	a. ii	PERSON
eurjchem-827	202	4	2004	DATE
eurjchem-827	202	5	59(4	DATE
eurjchem-827	202	6	255‐259	CARDINAL
eurjchem-827	202	7	3	CARDINAL
eurjchem-827	202	8	a. m.; kalluraya	PERSON
eurjchem-827	202	9	b.	PERSON
eurjchem-827	203	1	j. med.	PERSON
eurjchem-827	204	1	2009	DATE
eurjchem-827	204	2	44(9	CARDINAL
eurjchem-827	205	1	4	CARDINAL
eurjchem-827	205	2	kumar	PERSON
eurjchem-827	205	3	r.	NORP
eurjchem-827	205	4	khurana	PERSON
eurjchem-827	205	5	j. m. eur	PERSON
eurjchem-827	206	1	j. med. chem	PERSON
eurjchem-827	207	1	2011	DATE
eurjchem-827	208	1	5	CARDINAL
eurjchem-827	209	1	r. m.	PERSON
eurjchem-827	209	2	2006	DATE
eurjchem-827	209	3	9	CARDINAL
eurjchem-827	209	4	59‐112	CARDINAL
eurjchem-827	210	1	6	CARDINAL
eurjchem-827	211	1	p. k.	PERSON
eurjchem-827	211	2	sharma	PERSON
eurjchem-827	211	3	r.; pattanayak	PERSON
eurjchem-827	214	1	2010	DATE
eurjchem-827	214	2	19(2	DATE
eurjchem-827	214	3	127‐135	DATE
eurjchem-827	215	1	7	CARDINAL
eurjchem-827	216	1	m. h.	PERSON
eurjchem-827	216	2	brooker	ORG
eurjchem-827	216	3	s. coord	PERSON
eurjchem-827	218	1	2003	DATE
eurjchem-827	218	2	241(2	GPE
eurjchem-827	218	3	119‐132	DATE
eurjchem-827	219	1	8	CARDINAL
eurjchem-827	220	1	k.	PERSON
eurjchem-827	220	2	dimova	PERSON
eurjchem-827	220	3	kakurinov	GPE
eurjchem-827	220	4	d.	NORP
eurjchem-827	220	5	buzarovska a. molecules 2001	PERSON
eurjchem-827	220	6	6(10	CARDINAL
eurjchem-827	220	7	815‐824	DATE
eurjchem-827	221	1	9	CARDINAL
eurjchem-827	222	1	m.; ozdemir	PERSON
eurjchem-827	222	2	n.	ORG
eurjchem-827	222	3	cetin	PERSON
eurjchem-827	222	4	a.; cansız, a.	PERSON
eurjchem-827	222	5	m. acta cryst	PERSON
eurjchem-827	223	1	2005	DATE
eurjchem-827	223	2	61	DATE
eurjchem-827	224	1	10	CARDINAL
eurjchem-827	225	1	s.	PERSON
eurjchem-827	225	2	landreau	GPE
eurjchem-827	225	3	a.	PERSON
eurjchem-827	225	4	djebbar	GPE
eurjchem-827	225	5	s.	PERSON
eurjchem-827	225	6	benali baitich	PERSON
eurjchem-827	225	7	j. p. j. inorg	PERSON
eurjchem-827	227	1	2008	DATE
eurjchem-827	227	2	102(1	CARDINAL
eurjchem-827	227	3	63‐69	DATE
eurjchem-827	228	1	11	CARDINAL
eurjchem-827	228	2	s.	PERSON
eurjchem-827	228	3	landreau	GPE
eurjchem-827	228	4	a.	PERSON
eurjchem-827	228	5	djebbar	GPE
eurjchem-827	228	6	s.	GPE
eurjchem-827	228	7	benali	GPE
eurjchem-827	228	8	khan	GPE
eurjchem-827	228	9	m. a.	PERSON
eurjchem-827	228	10	bouet	ORG
eurjchem-827	228	11	g. trans	PERSON
eurjchem-827	230	1	2008	DATE
eurjchem-827	230	2	33(4	CARDINAL
eurjchem-827	230	3	511‐516	CARDINAL
eurjchem-827	231	1	12	CARDINAL
eurjchem-827	232	1	menzies	PERSON
eurjchem-827	232	2	c. m.	PERSON
eurjchem-827	232	3	j. inorg	PERSON
eurjchem-827	234	1	acta	PERSON
eurjchem-827	235	1	2001	DATE
eurjchem-827	235	2	314(1	DATE
eurjchem-827	235	3	194‐ 200	DATE
eurjchem-827	236	1	13	CARDINAL
eurjchem-827	236	2	tiburcio	PERSON
eurjchem-827	236	3	j.; jones	PERSON
eurjchem-827	236	4	w. d.	PERSON
eurjchem-827	236	5	s. j.	PERSON
eurjchem-827	236	6	torrens	PERSON
eurjchem-827	236	7	h. inorg	PERSON
eurjchem-827	238	1	2002	DATE
eurjchem-827	238	2	3779‐3785	CARDINAL
eurjchem-827	239	1	14	CARDINAL
eurjchem-827	239	2	s.	PERSON
eurjchem-827	239	3	djebbar	GPE
eurjchem-827	239	4	s.	GPE
eurjchem-827	239	5	benali	GPE
eurjchem-827	239	6	khan	GPE
eurjchem-827	239	7	m.; bouet	PERSON
eurjchem-827	239	8	g. c. r. chimie	PERSON
eurjchem-827	240	1	2007	DATE
eurjchem-827	240	2	10(7	CARDINAL
eurjchem-827	240	3	568‐572	DATE
eurjchem-827	241	1	15	CARDINAL
eurjchem-827	242	1	vetrogon	PERSON
eurjchem-827	242	2	i.	PERSON
eurjchem-827	242	3	n. g.	PERSON
eurjchem-827	242	4	m. j.	PERSON
eurjchem-827	242	5	f. talanta	PERSON
eurjchem-827	242	6	1994	DATE
eurjchem-827	242	7	41(12	CARDINAL
eurjchem-827	242	8	2105‐2112	CARDINAL
eurjchem-827	243	1	16	CARDINAL
eurjchem-827	244	1	a. d. j. chem	PERSON
eurjchem-827	246	1	1993	DATE
eurjchem-827	246	2	5648‐5652	CARDINAL
eurjchem-827	247	1	17	CARDINAL
eurjchem-827	248	1	lee	PERSON
eurjchem-827	248	2	c.; yang	PERSON
eurjchem-827	248	3	w.; parr	PERSON
eurjchem-827	248	4	r. g. phys	PERSON
eurjchem-827	250	1	1988	DATE
eurjchem-827	251	1	785‐787	DATE
eurjchem-827	252	1	18	CARDINAL
eurjchem-827	252	2	m.; trucks	PERSON
eurjchem-827	252	3	g. w.	PERSON
eurjchem-827	252	4	schlegel	ORG
eurjchem-827	252	5	h. b.	PERSON
eurjchem-827	252	6	scuseria	GPE
eurjchem-827	252	7	g. e.	PERSON
eurjchem-827	252	8	robb	PERSON
eurjchem-827	252	9	m. a.	PERSON
eurjchem-827	252	10	cheeseman	PERSON
eurjchem-827	252	11	j. r.	PERSON
eurjchem-827	252	12	montgomery	GPE
eurjchem-827	252	13	j. a.	PERSON
eurjchem-827	252	14	vreven	ORG
eurjchem-827	252	15	kudin	ORG
eurjchem-827	252	16	k. n.	PERSON
eurjchem-827	252	17	j. c.	PERSON
eurjchem-827	252	18	millam	PERSON
eurjchem-827	252	19	j. m.	PERSON
eurjchem-827	252	20	s. s.	PERSON
eurjchem-827	252	21	tomasi	PERSON
eurjchem-827	252	22	j.	PERSON
eurjchem-827	252	23	barone	GPE
eurjchem-827	252	24	mennucci	PERSON
eurjchem-827	252	25	b.	PERSON
eurjchem-827	252	26	cossi	GPE
eurjchem-827	252	27	m.; scalmani	PERSON
eurjchem-827	252	28	g.	PERSON
eurjchem-827	252	29	rega	PERSON
eurjchem-827	252	30	petersson	GPE
eurjchem-827	252	31	g. a.	PERSON
eurjchem-827	252	32	nakatsuji, h.	ORG
eurjchem-827	252	33	hada	ORG
eurjchem-827	252	34	m.; ehara, m.; toyota	PERSON
eurjchem-827	252	35	k.; fukuda	PERSON
eurjchem-827	252	36	r.	NORP
eurjchem-827	252	37	hasegawa	PERSON
eurjchem-827	252	38	j.	PERSON
eurjchem-827	252	39	nakajima	ORG
eurjchem-827	252	40	t.	GPE
eurjchem-827	252	41	honda	ORG
eurjchem-827	252	42	kitao	PERSON
eurjchem-827	252	43	nakai, h.; klene	ORG
eurjchem-827	252	44	m.; li	PERSON
eurjchem-827	252	45	x.	GPE
eurjchem-827	252	46	knox	GPE
eurjchem-827	252	47	j. e.	PERSON
eurjchem-827	252	48	hratchian, h. p.; cross	ORG
eurjchem-827	252	49	j. b.	PERSON
eurjchem-827	252	50	adamo	GPE
eurjchem-827	252	51	j.; gomperts	PERSON
eurjchem-827	252	52	r.	NORP
eurjchem-827	252	53	stratmann, r.	GPE
eurjchem-827	253	1	yazyev	PERSON
eurjchem-827	253	2	austin	GPE
eurjchem-827	253	3	a. j.; cammi	PERSON
eurjchem-827	253	4	r.; pomelli	PERSON
eurjchem-827	253	5	j. w.	PERSON
eurjchem-827	253	6	ayala	GPE
eurjchem-827	253	7	k.	PERSON
eurjchem-827	253	8	voth	PERSON
eurjchem-827	253	9	g. a.	PERSON
eurjchem-827	253	10	salvador	GPE
eurjchem-827	253	11	dannenberg	GPE
eurjchem-827	253	12	j. j.	PERSON
eurjchem-827	253	13	v. g.	PERSON
eurjchem-827	253	14	daniels	GPE
eurjchem-827	253	15	a. d.	PERSON
eurjchem-827	253	16	m. c.	PERSON
eurjchem-827	253	17	farkas	ORG
eurjchem-827	253	18	malick	PERSON
eurjchem-827	253	19	d. k.	PERSON
eurjchem-827	253	20	rabuck, a. d.	PERSON
eurjchem-827	253	21	k.	PERSON
eurjchem-827	253	22	j. b.	PERSON
eurjchem-827	253	23	j. v.	PERSON
eurjchem-827	253	24	q.	PERSON
eurjchem-827	253	25	baboul	GPE
eurjchem-827	253	26	a. g.	PERSON
eurjchem-827	253	27	clifford	ORG
eurjchem-827	253	28	s.	PERSON
eurjchem-827	253	29	j.; stefanov	PERSON
eurjchem-827	253	30	b. b.	PERSON
eurjchem-827	254	1	liu	PERSON
eurjchem-827	254	2	a.; piskorz	PERSON
eurjchem-827	254	3	i.	PERSON
eurjchem-827	254	4	martin	PERSON
eurjchem-827	254	5	r. l.	PERSON
eurjchem-827	254	6	fox	ORG
eurjchem-827	254	7	d. j.	PERSON
eurjchem-827	254	8	keith	PERSON
eurjchem-827	254	9	t.; al‐laham	PERSON
eurjchem-827	254	10	m. a.	PERSON
eurjchem-827	254	11	peng	PERSON
eurjchem-827	254	12	c. y.	PERSON
eurjchem-827	254	13	nanayakkara, a.	ORG
eurjchem-827	254	14	m.; gill	PERSON
eurjchem-827	254	15	m. w.	PERSON
eurjchem-827	254	16	johnson	PERSON
eurjchem-827	254	17	b.	PERSON
eurjchem-827	254	18	chen	PERSON
eurjchem-827	254	19	w.	PERSON
eurjchem-827	254	20	wong	GPE
eurjchem-827	254	21	m. w.	PERSON
eurjchem-827	254	22	gonzalez	PERSON
eurjchem-827	254	23	c.; j. a. pople	PERSON
eurjchem-827	254	24	j. a. gaussian 03	PERSON
eurjchem-827	254	25	wallingford	GPE
eurjchem-827	254	26	2004	DATE
eurjchem-827	255	1	19	CARDINAL
eurjchem-827	256	1	cossi	PERSON
eurjchem-827	256	2	m.; rega	PERSON
eurjchem-827	256	3	n.	PERSON
eurjchem-827	256	4	scalmani	PERSON
eurjchem-827	256	5	g.	PERSON
eurjchem-827	256	6	barone	GPE
eurjchem-827	256	7	j. comput	PERSON
eurjchem-827	258	1	2003	DATE
eurjchem-827	258	2	24(6	DATE
eurjchem-827	258	3	669‐681	CARDINAL
eurjchem-827	259	1	20	CARDINAL
eurjchem-827	260	1	m. d.	PERSON
eurjchem-827	260	2	k. c.	PERSON
eurjchem-827	260	3	p. g.	PERSON
eurjchem-827	260	4	steven, f.	PERSON
eurjchem-827	260	5	g. c. j. am	PERSON
eurjchem-827	263	1	2002	DATE
eurjchem-827	263	2	124(22	DATE
eurjchem-827	263	3	6421‐6427	CARDINAL
eurjchem-827	264	1	21	CARDINAL
eurjchem-827	265	1	n. s.	PERSON
eurjchem-827	266	1	a. n. russ	PERSON
eurjchem-827	267	1	j. gen. chem	PERSON
eurjchem-827	268	1	2010	DATE
eurjchem-827	268	2	80(9	DATE
eurjchem-827	268	3	1800‐1805	CARDINAL
eurjchem-827	269	1	22	CARDINAL
eurjchem-827	270	1	larisa e. kapinos	PERSON
eurjchem-827	270	2	h. sigel	PERSON
eurjchem-827	271	1	inorg	ORG
eurjchem-827	273	1	acta	PERSON
eurjchem-827	274	1	2002	DATE
eurjchem-827	274	2	337	CARDINAL
eurjchem-827	275	1	23	CARDINAL
eurjchem-827	276	1	kajdan	ORG
eurjchem-827	276	2	t. w.	PERSON
eurjchem-827	276	3	j.; dubey	PERSON
eurjchem-827	276	4	s. n. inorg	PERSON
eurjchem-827	278	1	acta	PERSON
eurjchem-827	279	1	2000	DATE
eurjchem-827	279	2	300	CARDINAL