id	sid	eid	entity	type
eurjchem-1239	1	1	european journal of chemistry	ORG
eurjchem-1239	1	2	6	CARDINAL
eurjchem-1239	1	3	3	CARDINAL
eurjchem-1239	1	4	2015	CARDINAL
eurjchem-1239	1	5	261‐269	CARDINAL
eurjchem-1239	1	6	2153‐2249	CARDINAL
eurjchem-1239	1	7	2153‐2257	CARDINAL
eurjchem-1239	1	8	2015	CARDINAL
eurjchem-1239	1	9	atlanta	GPE
eurjchem-1239	1	10	the usa http://dx.doi.org/10.5155/eurjchem.6.3.261‐269.1239 european journal of chemistry journal	ORG
eurjchem-1239	1	11	hussain	PERSON
eurjchem-1239	1	12	1	CARDINAL
eurjchem-1239	1	13	muthana	ORG
eurjchem-1239	1	14	2	CARDINAL
eurjchem-1239	1	15	1	CARDINAL
eurjchem-1239	1	16	university of baghdad	ORG
eurjchem-1239	1	17	baghdad	GPE
eurjchem-1239	1	18	00964‐01	DATE
eurjchem-1239	1	19	iraq 2 department of chemistry	ORG
eurjchem-1239	1	20	university of baghdad	ORG
eurjchem-1239	1	21	baghdad	GPE
eurjchem-1239	1	22	00964‐01	DATE
eurjchem-1239	1	23	iraq	GPE
eurjchem-1239	1	24	university of baghdad	ORG
eurjchem-1239	1	25	baghdad	GPE
eurjchem-1239	1	26	00964‐01	DATE
eurjchem-1239	1	27	iraq	GPE
eurjchem-1239	3	1	+964.790.2824400	CARDINAL
eurjchem-1239	4	1	+964.790.2824400	CARDINAL
eurjchem-1239	5	1	m. shanshal	PERSON
eurjchem-1239	6	1	10.5155	CARDINAL
eurjchem-1239	6	2	10 january 2015	DATE
eurjchem-1239	6	3	04 april 2015	DATE
eurjchem-1239	6	4	04	CARDINAL
eurjchem-1239	6	5	april 2015	DATE
eurjchem-1239	6	6	30	CARDINAL
eurjchem-1239	6	7	september 2015	DATE
eurjchem-1239	6	8	30	CARDINAL
eurjchem-1239	6	9	6‐311	CARDINAL
eurjchem-1239	8	1	c‐c	ORG
eurjchem-1239	8	2	ch2	ORG
eurjchem-1239	9	1	190.00 kcal	QUANTITY
eurjchem-1239	9	2	160.00 kcal	QUANTITY
eurjchem-1239	10	1	c‐c	ORG
eurjchem-1239	10	2	between 56.497	CARDINAL
eurjchem-1239	10	3	191.503 kcal	QUANTITY
eurjchem-1239	11	1	163.535 to 165.116 kcal	QUANTITY
eurjchem-1239	13	1	dft b3lyp pyrene	PERSON
eurjchem-1239	14	1	j. chem	ORG
eurjchem-1239	15	1	2015	CARDINAL
eurjchem-1239	15	2	6(3	CARDINAL
eurjchem-1239	15	3	261‐269 1	DATE
eurjchem-1239	19	1	5	CARDINAL
eurjchem-1239	21	1	6	CARDINAL
eurjchem-1239	23	1	c‐c	ORG
eurjchem-1239	23	2	15	CARDINAL
eurjchem-1239	28	1	16	CARDINAL
eurjchem-1239	28	2	17‐20	CARDINAL
eurjchem-1239	29	1	21‐23	CARDINAL
eurjchem-1239	30	1	20	CARDINAL
eurjchem-1239	36	1	4	CARDINAL
eurjchem-1239	36	2	1	CARDINAL
eurjchem-1239	37	1	262	CARDINAL
eurjchem-1239	37	2	6	CARDINAL
eurjchem-1239	37	3	3	CARDINAL
eurjchem-1239	37	4	2015	CARDINAL
eurjchem-1239	37	5	261‐269	CARDINAL
eurjchem-1239	37	6	1	CARDINAL
eurjchem-1239	37	7	1	CARDINAL
eurjchem-1239	37	8	dft	ORG
eurjchem-1239	37	9	ea	CARDINAL
eurjchem-1239	37	10	192.425	CARDINAL
eurjchem-1239	37	11	149.379 kcal	QUANTITY
eurjchem-1239	38	1	2	CARDINAL
eurjchem-1239	38	2	2.1	CARDINAL
eurjchem-1239	39	1	18,19	CARDINAL
eurjchem-1239	39	2	28	CARDINAL
eurjchem-1239	40	1	6‐311	CARDINAL
eurjchem-1239	44	1	one	CARDINAL
eurjchem-1239	45	1	3n‐5	CARDINAL
eurjchem-1239	47	1	1	CARDINAL
eurjchem-1239	48	1	3	CARDINAL
eurjchem-1239	48	2	3.1	CARDINAL
eurjchem-1239	49	1	dft	ORG
eurjchem-1239	50	1	1	CARDINAL
eurjchem-1239	51	1	approximately 3.6 å	CARDINAL
eurjchem-1239	51	2	ea	CARDINAL
eurjchem-1239	51	3	192.428 kcal	QUANTITY
eurjchem-1239	51	4	73.484 kcal/mol	QUANTITY
eurjchem-1239	52	1	c3	PERSON
eurjchem-1239	53	1	h2‐c≡c‐c3‐c3a	LOC
eurjchem-1239	53	2	2	CARDINAL
eurjchem-1239	55	1	3	CARDINAL
eurjchem-1239	56	1	two	CARDINAL
eurjchem-1239	56	2	0.10	CARDINAL
eurjchem-1239	57	1	3.6	CARDINAL
eurjchem-1239	58	1	‐0.32	DATE
eurjchem-1239	58	2	c2, ‐0.58	ORG
eurjchem-1239	60	1	3.2	CARDINAL
eurjchem-1239	60	2	4.1	CARDINAL
eurjchem-1239	60	3	4	CARDINAL
eurjchem-1239	62	1	ch2	ORG
eurjchem-1239	64	1	5	CARDINAL
eurjchem-1239	64	2	1.220	CARDINAL
eurjchem-1239	65	1	6	CARDINAL
eurjchem-1239	65	2	3	CARDINAL
eurjchem-1239	65	3	2015	CARDINAL
eurjchem-1239	65	4	261‐269 263	CARDINAL
eurjchem-1239	65	5	2	CARDINAL
eurjchem-1239	66	1	t.s.	GPE
eurjchem-1239	67	1	3	CARDINAL
eurjchem-1239	68	1	4	CARDINAL
eurjchem-1239	69	1	264	CARDINAL
eurjchem-1239	69	2	6	CARDINAL
eurjchem-1239	69	3	3	CARDINAL
eurjchem-1239	69	4	2015	CARDINAL
eurjchem-1239	70	1	261‐269	CARDINAL
eurjchem-1239	70	2	5	CARDINAL
eurjchem-1239	70	3	c3	PERSON
eurjchem-1239	71	1	6	CARDINAL
eurjchem-1239	71	2	c3a‐c4	PRODUCT
eurjchem-1239	73	1	201.125 kcal	QUANTITY
eurjchem-1239	73	2	70.383 kcal	QUANTITY
eurjchem-1239	74	1	144.308 kcal	QUANTITY
eurjchem-1239	74	2	5	CARDINAL
eurjchem-1239	74	3	c3	PERSON
eurjchem-1239	75	1	3.3	CARDINAL
eurjchem-1239	75	2	c3a‐c4	PRODUCT
eurjchem-1239	75	3	dft	ORG
eurjchem-1239	75	4	3.5 å	DATE
eurjchem-1239	75	5	6	CARDINAL
eurjchem-1239	78	1	ea	CARDINAL
eurjchem-1239	78	2	173.615 kcal	QUANTITY
eurjchem-1239	79	1	56.497 kcal	QUANTITY
eurjchem-1239	79	2	131.648 kcal	QUANTITY
eurjchem-1239	79	3	6	CARDINAL
eurjchem-1239	79	4	three	CARDINAL
eurjchem-1239	80	1	c5	GPE
eurjchem-1239	80	2	c3a	GPE
eurjchem-1239	82	1	5a‐acetinyl‐	CARDINAL
eurjchem-1239	83	1	7	CARDINAL
eurjchem-1239	86	1	1.218	CARDINAL
eurjchem-1239	87	1	3.4	CARDINAL
eurjchem-1239	88	1	8	CARDINAL
eurjchem-1239	90	1	ea	CARDINAL
eurjchem-1239	90	2	206.523 kcal	QUANTITY
eurjchem-1239	90	3	184.788 kcal	QUANTITY
eurjchem-1239	91	1	194.975 kcal	QUANTITY
eurjchem-1239	92	1	9	CARDINAL
eurjchem-1239	93	1	3	CARDINAL
eurjchem-1239	94	1	3.6 å	CARDINAL
eurjchem-1239	94	2	10	CARDINAL
eurjchem-1239	94	3	6	CARDINAL
eurjchem-1239	94	4	3	CARDINAL
eurjchem-1239	94	5	2015	CARDINAL
eurjchem-1239	94	6	261‐269	CARDINAL
eurjchem-1239	94	7	7	CARDINAL
eurjchem-1239	95	1	8	CARDINAL
eurjchem-1239	96	1	dft	ORG
eurjchem-1239	97	1	ea	CARDINAL
eurjchem-1239	97	2	206.523	CARDINAL
eurjchem-1239	97	3	194.975	CARDINAL
eurjchem-1239	97	4	184.788 kcal	QUANTITY
eurjchem-1239	98	1	9	CARDINAL
eurjchem-1239	99	1	3.5	CARDINAL
eurjchem-1239	99	2	3.1å	CARDINAL
eurjchem-1239	99	3	11	CARDINAL
eurjchem-1239	100	1	207.192 kcal	QUANTITY
eurjchem-1239	100	2	two	CARDINAL
eurjchem-1239	100	3	193.152 kcal	QUANTITY
eurjchem-1239	101	1	191.503 kcal	QUANTITY
eurjchem-1239	101	2	12	CARDINAL
eurjchem-1239	102	1	13	CARDINAL
eurjchem-1239	102	2	c5 atomic	ORG
eurjchem-1239	103	1	266	CARDINAL
eurjchem-1239	103	2	6	CARDINAL
eurjchem-1239	103	3	3	CARDINAL
eurjchem-1239	103	4	2015	CARDINAL
eurjchem-1239	103	5	261‐269	CARDINAL
eurjchem-1239	103	6	10	CARDINAL
eurjchem-1239	105	1	11	CARDINAL
eurjchem-1239	106	1	dft	ORG
eurjchem-1239	106	2	ea	CARDINAL
eurjchem-1239	106	3	207.192	CARDINAL
eurjchem-1239	106	4	193.152	CARDINAL
eurjchem-1239	106	5	191.503 kcal	QUANTITY
eurjchem-1239	107	1	12	CARDINAL
eurjchem-1239	109	1	3.6	CARDINAL
eurjchem-1239	109	2	c10b‐c10c	GPE
eurjchem-1239	109	3	c10b‐c10c central	ORG
eurjchem-1239	109	4	two	CARDINAL
eurjchem-1239	110	1	14	CARDINAL
eurjchem-1239	111	1	c10b‐c10c	GPE
eurjchem-1239	111	2	3.0 å	CARDINAL
eurjchem-1239	112	1	200.458 kcal	QUANTITY
eurjchem-1239	112	2	188.400 kcal	QUANTITY
eurjchem-1239	114	1	6	CARDINAL
eurjchem-1239	114	2	3	CARDINAL
eurjchem-1239	114	3	2015	CARDINAL
eurjchem-1239	114	4	261‐269 267	CARDINAL
eurjchem-1239	114	5	13	CARDINAL
eurjchem-1239	115	1	c5	ORG
eurjchem-1239	116	1	14	CARDINAL
eurjchem-1239	117	1	c10b‐c10c	GPE
eurjchem-1239	118	1	15	CARDINAL
eurjchem-1239	120	1	16	CARDINAL
eurjchem-1239	122	1	4.	CARDINAL
eurjchem-1239	122	2	d2h	ORG
eurjchem-1239	122	3	three	CARDINAL
eurjchem-1239	124	1	three	CARDINAL
eurjchem-1239	124	2	dft	ORG
eurjchem-1239	125	1	h9	ORG
eurjchem-1239	125	2	5.2 å	PERSON
eurjchem-1239	126	1	15	CARDINAL
eurjchem-1239	127	1	16	CARDINAL
eurjchem-1239	128	1	268	CARDINAL
eurjchem-1239	128	2	6	CARDINAL
eurjchem-1239	128	3	3	CARDINAL
eurjchem-1239	128	4	2015	CARDINAL
eurjchem-1239	128	5	261‐269	CARDINAL
eurjchem-1239	128	6	17	CARDINAL
eurjchem-1239	130	1	18	CARDINAL
eurjchem-1239	131	1	c4‐h4	ORG
eurjchem-1239	133	1	ea	CARDINAL
eurjchem-1239	133	2	163.535 kcal	QUANTITY
eurjchem-1239	133	3	117.690 kcal	QUANTITY
eurjchem-1239	134	1	17	CARDINAL
eurjchem-1239	135	1	0.0	CARDINAL
eurjchem-1239	136	1	ea	CARDINAL
eurjchem-1239	136	2	165.116 kcal	QUANTITY
eurjchem-1239	136	3	117.350 kcal	QUANTITY
eurjchem-1239	137	1	18	CARDINAL
eurjchem-1239	140	1	ea	CARDINAL
eurjchem-1239	140	2	163.785 kcal/mol	QUANTITY
eurjchem-1239	140	3	117.293 kcal	QUANTITY
eurjchem-1239	140	4	h4	ORG
eurjchem-1239	140	5	0.0	CARDINAL
eurjchem-1239	141	1	5	CARDINAL
eurjchem-1239	143	1	29	CARDINAL
eurjchem-1239	143	2	ch2	ORG
eurjchem-1239	145	1	1	CARDINAL
eurjchem-1239	146	1	harvey	PERSON
eurjchem-1239	146	2	r. g. polycyclic	PERSON
eurjchem-1239	146	3	cambridge university press	ORG
eurjchem-1239	146	4	cambridge	GPE
eurjchem-1239	146	5	1991	DATE
eurjchem-1239	147	1	2	CARDINAL
eurjchem-1239	147	2	harvey	PERSON
eurjchem-1239	147	3	r. g. polycyclic	PERSON
eurjchem-1239	147	4	new york	GPE
eurjchem-1239	147	5	1997	DATE
eurjchem-1239	148	1	3	CARDINAL
eurjchem-1239	149	1	ren	PERSON
eurjchem-1239	149	2	r. l.	PERSON
eurjchem-1239	149	3	k. fuel 1989	ORG
eurjchem-1239	149	4	68	DATE
eurjchem-1239	149	5	58‐65	DATE
eurjchem-1239	150	1	4	CARDINAL
eurjchem-1239	151	1	suzuki	ORG
eurjchem-1239	151	2	z. y. fuel	PERSON
eurjchem-1239	151	3	2000	DATE
eurjchem-1239	151	4	79	DATE
eurjchem-1239	151	5	449‐457	DATE
eurjchem-1239	152	1	5	CARDINAL
eurjchem-1239	152	2	m. r.	PERSON
eurjchem-1239	152	3	academic press inc	ORG
eurjchem-1239	152	4	n. york	PERSON
eurjchem-1239	152	5	1978	DATE
eurjchem-1239	153	1	6	CARDINAL
eurjchem-1239	154	1	luch	PERSON
eurjchem-1239	154	2	singapore	GPE
eurjchem-1239	154	3	2005	DATE
eurjchem-1239	155	1	7	CARDINAL
eurjchem-1239	156	1	m.; wang	PERSON
eurjchem-1239	156	2	h. proc	PERSON
eurjchem-1239	157	1	inst	PERSON
eurjchem-1239	157	2	1991	DATE
eurjchem-1239	157	3	23	DATE
eurjchem-1239	157	4	1559‐1566	DATE
eurjchem-1239	158	1	8	CARDINAL
eurjchem-1239	159	1	m.; moriatry	PERSON
eurjchem-1239	159	2	n. w.	PERSON
eurjchem-1239	161	1	1998	DATE
eurjchem-1239	161	2	27	CARDINAL
eurjchem-1239	161	3	1655‐1661	CARDINAL
eurjchem-1239	162	1	9	CARDINAL
eurjchem-1239	163	1	martin	PERSON
eurjchem-1239	163	2	j. m. l.	PERSON
eurjchem-1239	163	3	lifschitz	ORG
eurjchem-1239	163	4	c. j. phys	PERSON
eurjchem-1239	165	1	1997	DATE
eurjchem-1239	165	2	101	DATE
eurjchem-1239	165	3	226	CARDINAL
eurjchem-1239	166	1	10	CARDINAL
eurjchem-1239	167	1	a. m.	PERSON
eurjchem-1239	167	2	lin	GPE
eurjchem-1239	167	3	s. h.	PERSON
eurjchem-1239	167	4	yang	PERSON
eurjchem-1239	167	5	x. m.	PERSON
eurjchem-1239	167	6	lee	PERSON
eurjchem-1239	167	7	y. t. j. phys	PERSON
eurjchem-1239	169	1	1997	DATE
eurjchem-1239	169	2	101	DATE
eurjchem-1239	169	3	6781‐6789	CARDINAL
eurjchem-1239	170	1	11	CARDINAL
eurjchem-1239	171	1	jander, h. phys	ORG
eurjchem-1239	175	1	1999	DATE
eurjchem-1239	175	2	1	CARDINAL
eurjchem-1239	175	3	3775‐3781	CARDINAL
eurjchem-1239	176	1	12	CARDINAL
eurjchem-1239	177	1	k.; dopperich	PERSON
eurjchem-1239	177	2	s.	PERSON
eurjchem-1239	177	3	furda f.	PERSON
eurjchem-1239	178	1	r. phys	PERSON
eurjchem-1239	182	1	2000	DATE
eurjchem-1239	182	2	2	CARDINAL
eurjchem-1239	183	1	13	CARDINAL
eurjchem-1239	184	1	b.	PERSON
eurjchem-1239	185	1	sierka	PERSON
eurjchem-1239	185	2	m.; ahlrichs	PERSON
eurjchem-1239	185	3	r. phys	PERSON
eurjchem-1239	188	1	2004	DATE
eurjchem-1239	188	2	6	DATE
eurjchem-1239	188	3	4377‐4384	DATE
eurjchem-1239	189	1	14	CARDINAL
eurjchem-1239	190	1	m.; abdullah	PERSON
eurjchem-1239	190	2	h. h.	PERSON
eurjchem-1239	190	3	6thjordanien	CARDINAL
eurjchem-1239	190	4	jordan	GPE
eurjchem-1239	190	5	2011	DATE
eurjchem-1239	191	1	15	CARDINAL
eurjchem-1239	192	1	m.; hadi	PERSON
eurjchem-1239	192	2	h. jordan j. chem	PERSON
eurjchem-1239	193	1	2012	DATE
eurjchem-1239	193	2	7, 329‐337	DATE
eurjchem-1239	194	1	16	CARDINAL
eurjchem-1239	194	2	roothaan	GPE
eurjchem-1239	194	3	c. c. j. rev	PERSON
eurjchem-1239	194	4	mod	PERSON
eurjchem-1239	195	1	phys	PERSON
eurjchem-1239	196	1	1951	DATE
eurjchem-1239	196	2	23(2	CARDINAL
eurjchem-1239	196	3	69‐89	DATE
eurjchem-1239	197	1	17	CARDINAL
eurjchem-1239	198	1	kohn	PERSON
eurjchem-1239	198	2	w.	PERSON
eurjchem-1239	198	3	l. j. phys	PERSON
eurjchem-1239	199	1	1965	DATE
eurjchem-1239	199	2	140	CARDINAL
eurjchem-1239	199	3	a1133‐a1138	GPE
eurjchem-1239	200	1	18	CARDINAL
eurjchem-1239	201	1	hohenberg	PERSON
eurjchem-1239	201	2	kohn	PERSON
eurjchem-1239	201	3	w. phys	PERSON
eurjchem-1239	202	1	1964	DATE
eurjchem-1239	202	2	136	CARDINAL
eurjchem-1239	202	3	b864‐b871	ORG
eurjchem-1239	203	1	19	CARDINAL
eurjchem-1239	204	1	a. d. phys	PERSON
eurjchem-1239	206	1	1988	DATE
eurjchem-1239	206	2	38	DATE
eurjchem-1239	206	3	3098‐3001	DATE
eurjchem-1239	207	1	20	CARDINAL
eurjchem-1239	208	1	lee	PERSON
eurjchem-1239	208	2	c.; yang	PERSON
eurjchem-1239	208	3	w. parr	PERSON
eurjchem-1239	208	4	r. g. phys	PERSON
eurjchem-1239	210	1	1988	DATE
eurjchem-1239	210	2	37	DATE
eurjchem-1239	211	1	21	CARDINAL
eurjchem-1239	212	1	m.	PERSON
eurjchem-1239	212	2	muala	GPE
eurjchem-1239	212	3	m. m. jordan j. chem	PERSON
eurjchem-1239	213	1	2011	DATE
eurjchem-1239	213	2	6(2	CARDINAL
eurjchem-1239	213	3	165‐173	CARDINAL
eurjchem-1239	214	1	22	CARDINAL
eurjchem-1239	215	1	m.	PERSON
eurjchem-1239	215	2	muala	GPE
eurjchem-1239	215	3	m. m. jordan j. chem	PERSON
eurjchem-1239	216	1	2013	DATE
eurjchem-1239	216	2	8(2	DATE
eurjchem-1239	216	3	113‐124	DATE
eurjchem-1239	217	1	23	CARDINAL
eurjchem-1239	218	1	m.	PERSON
eurjchem-1239	218	2	muala	GPE
eurjchem-1239	218	3	m. m.	PERSON
eurjchem-1239	218	4	m. a. jordan j. chem	PERSON
eurjchem-1239	219	1	2013	DATE
eurjchem-1239	219	2	8	DATE
eurjchem-1239	219	3	213‐224	ORG
eurjchem-1239	220	1	24	CARDINAL
eurjchem-1239	221	1	davico	ORG
eurjchem-1239	221	2	g. e.	PERSON
eurjchem-1239	221	3	bierbaum	ORG
eurjchem-1239	221	4	v. m.	PERSON
eurjchem-1239	221	5	depuy	ORG
eurjchem-1239	221	6	c. h.	PERSON
eurjchem-1239	221	7	ellison	PERSON
eurjchem-1239	221	8	g. b.	PERSON
eurjchem-1239	221	9	r. r. j. amer	PERSON
eurjchem-1239	223	1	1995	DATE
eurjchem-1239	223	2	117	CARDINAL
eurjchem-1239	224	1	25	CARDINAL
eurjchem-1239	225	1	laarhoven	PERSON
eurjchem-1239	225	2	l. j. j.	PERSON
eurjchem-1239	225	3	mulder	DATE
eurjchem-1239	225	4	j. phys	ORG
eurjchem-1239	227	1	1997	DATE
eurjchem-1239	227	2	101	DATE
eurjchem-1239	227	3	73‐77	CARDINAL
eurjchem-1239	228	1	26	CARDINAL
eurjchem-1239	230	1	c. m. j. amer	PERSON
eurjchem-1239	232	1	1999	DATE
eurjchem-1239	232	2	121	CARDINAL
eurjchem-1239	232	3	492‐500	CARDINAL
eurjchem-1239	233	1	27	CARDINAL
eurjchem-1239	234	1	luo	PERSON
eurjchem-1239	234	2	crc press	ORG
eurjchem-1239	234	3	fl	ORG
eurjchem-1239	234	4	2007	DATE
eurjchem-1239	235	1	28	CARDINAL
eurjchem-1239	235	2	m. j.	PERSON
eurjchem-1239	235	3	g. w.	PERSON
eurjchem-1239	235	4	schlegel	ORG
eurjchem-1239	235	5	h. b.	PERSON
eurjchem-1239	235	6	scuseria	GPE
eurjchem-1239	235	7	g. e.	PERSON
eurjchem-1239	235	8	robb	PERSON
eurjchem-1239	235	9	m. a.	PERSON
eurjchem-1239	235	10	cheeseman	PERSON
eurjchem-1239	235	11	j. r.	PERSON
eurjchem-1239	235	12	montgomery, jr.	ORG
eurjchem-1239	235	13	j. a.	PERSON
eurjchem-1239	235	14	vreven	ORG
eurjchem-1239	235	15	kudin	ORG
eurjchem-1239	235	16	k. n.	PERSON
eurjchem-1239	235	17	j. c.	PERSON
eurjchem-1239	235	18	millam	PERSON
eurjchem-1239	235	19	j. m.	PERSON
eurjchem-1239	235	20	s. s.	PERSON
eurjchem-1239	235	21	tomasi	PERSON
eurjchem-1239	235	22	j.	PERSON
eurjchem-1239	235	23	barone	GPE
eurjchem-1239	235	24	mennucci	PERSON
eurjchem-1239	235	25	b.	PERSON
eurjchem-1239	235	26	cossi	GPE
eurjchem-1239	235	27	m.; scalmani	PERSON
eurjchem-1239	235	28	g.	PERSON
eurjchem-1239	235	29	rega	PERSON
eurjchem-1239	235	30	petersson	GPE
eurjchem-1239	235	31	g. a.	PERSON
eurjchem-1239	235	32	nakatsuji, h.	ORG
eurjchem-1239	235	33	hada	ORG
eurjchem-1239	235	34	m.; ehara, m.; toyota	PERSON
eurjchem-1239	235	35	k.; fukuda	PERSON
eurjchem-1239	235	36	r.	NORP
eurjchem-1239	235	37	hasegawa	PERSON
eurjchem-1239	235	38	j.	PERSON
eurjchem-1239	235	39	nakajima	ORG
eurjchem-1239	235	40	t.	GPE
eurjchem-1239	235	41	honda	ORG
eurjchem-1239	235	42	kitao	PERSON
eurjchem-1239	235	43	nakai, h.; klene	ORG
eurjchem-1239	235	44	m.; li	PERSON
eurjchem-1239	235	45	x.	GPE
eurjchem-1239	235	46	knox	GPE
eurjchem-1239	235	47	j. e.	PERSON
eurjchem-1239	235	48	p. hratchian	PERSON
eurjchem-1239	235	49	j. b.	PERSON
eurjchem-1239	235	50	adamo	GPE
eurjchem-1239	235	51	j.; gomperts	PERSON
eurjchem-1239	235	52	r.	NORP
eurjchem-1239	235	53	stratmann, r. e.; yazyev	GPE
eurjchem-1239	235	54	austin	GPE
eurjchem-1239	235	55	a. j.	PERSON
eurjchem-1239	235	56	cammi	PERSON
eurjchem-1239	235	57	r.	NORP
eurjchem-1239	235	58	j. w.	PERSON
eurjchem-1239	235	59	ayala	GPE
eurjchem-1239	235	60	k.	PERSON
eurjchem-1239	235	61	voth	PERSON
eurjchem-1239	235	62	g. a.	PERSON
eurjchem-1239	235	63	salvador	GPE
eurjchem-1239	235	64	dannenberg	GPE
eurjchem-1239	235	65	j. j.	PERSON
eurjchem-1239	235	66	v. g.	PERSON
eurjchem-1239	235	67	daniels	GPE
eurjchem-1239	235	68	a. d.	PERSON
eurjchem-1239	235	69	m. c.	PERSON
eurjchem-1239	235	70	farkas	ORG
eurjchem-1239	235	71	malick	PERSON
eurjchem-1239	235	72	d. k.	PERSON
eurjchem-1239	235	73	rabuck, a. d.	PERSON
eurjchem-1239	235	74	k.	PERSON
eurjchem-1239	235	75	j. b.	PERSON
eurjchem-1239	235	76	j. v.	PERSON
eurjchem-1239	235	77	q.	PERSON
eurjchem-1239	235	78	baboul	GPE
eurjchem-1239	235	79	a. g.	PERSON
eurjchem-1239	235	80	clifford	ORG
eurjchem-1239	235	81	s.	PERSON
eurjchem-1239	235	82	j.; stefanov	PERSON
eurjchem-1239	235	83	b. b.	PERSON
eurjchem-1239	236	1	liu	PERSON
eurjchem-1239	236	2	a.	PERSON
eurjchem-1239	236	3	6	CARDINAL
eurjchem-1239	236	4	3	CARDINAL
eurjchem-1239	236	5	2015	CARDINAL
eurjchem-1239	236	6	261‐269 269	CARDINAL
eurjchem-1239	236	7	i.	PERSON
eurjchem-1239	236	8	martin	PERSON
eurjchem-1239	236	9	r. l.	PERSON
eurjchem-1239	236	10	fox	ORG
eurjchem-1239	236	11	d. j.	PERSON
eurjchem-1239	236	12	keith	PERSON
eurjchem-1239	236	13	t.; al‐laham	PERSON
eurjchem-1239	236	14	m. a.	PERSON
eurjchem-1239	236	15	peng	PERSON
eurjchem-1239	236	16	c. y.	PERSON
eurjchem-1239	236	17	nanayakkara, a.	ORG
eurjchem-1239	236	18	m.; gill	PERSON
eurjchem-1239	236	19	m. w.	PERSON
eurjchem-1239	236	20	johnson	PERSON
eurjchem-1239	236	21	b.	PERSON
eurjchem-1239	236	22	chen	PERSON
eurjchem-1239	236	23	w.	PERSON
eurjchem-1239	236	24	wong	GPE
eurjchem-1239	236	25	m. w.	PERSON
eurjchem-1239	236	26	gonzalez	PERSON
eurjchem-1239	236	27	j. a.	PERSON
eurjchem-1239	236	28	gaussian, inc.	ORG
eurjchem-1239	236	29	pittsburgh	GPE
eurjchem-1239	236	30	pa	GPE
eurjchem-1239	236	31	2003	DATE
eurjchem-1239	237	1	29	CARDINAL
eurjchem-1239	238	1	dewar	ORG
eurjchem-1239	238	2	m. j. s.	PERSON
eurjchem-1239	239	1	n. york	PERSON
eurjchem-1239	239	2	1969	DATE
eurjchem-1239	240	1	169‐190	DATE