id	sid	eid	entity	type
eurjchem-2316	1	1	nh3	CARDINAL
eurjchem-2316	1	2	european journal of chemistry	ORG
eurjchem-2316	1	3	13	CARDINAL
eurjchem-2316	1	4	4	CARDINAL
eurjchem-2316	1	5	2022	CARDINAL
eurjchem-2316	1	6	371	CARDINAL
eurjchem-2316	1	7	380	CARDINAL
eurjchem-2316	1	8	european journal of chemistry issn 2153-2249	ORG
eurjchem-2316	1	9	2153-2257	CARDINAL
eurjchem-2316	2	1	2022	CARDINAL
eurjchem-2316	2	2	atlanta	GPE
eurjchem-2316	2	3	llc	GPE
eurjchem-2316	3	1	atlanta publishing house	ORG
eurjchem-2316	3	2	nc	GPE
eurjchem-2316	4	1	european journal of chemistry view journal online view article	ORG
eurjchem-2316	4	2	nh3	CARDINAL
eurjchem-2316	4	3	moisés hernández-duarte 2	PERSON
eurjchem-2316	4	4	roberto mejía-olvera 1,3	PERSON
eurjchem-2316	4	5	sandy-maría pacheco-ortin 1	PERSON
eurjchem-2316	4	6	1,4	CARDINAL
eurjchem-2316	4	7	1	CARDINAL
eurjchem-2316	4	8	de química	PERSON
eurjchem-2316	4	9	facultad de estudios	ORG
eurjchem-2316	4	10	universidad nacional autónoma de méxico	ORG
eurjchem-2316	4	11	cuautitlán izcalli	ORG
eurjchem-2316	4	12	54740	DATE
eurjchem-2316	4	13	estado de méxico	ORG
eurjchem-2316	4	14	méxico 2 centro de tecnologías en cómputo y comunicación	ORG
eurjchem-2316	4	15	facultad de estudios	ORG
eurjchem-2316	4	16	universidad nacional autónoma de méxico	ORG
eurjchem-2316	4	17	cuautitlán izcalli	ORG
eurjchem-2316	4	18	54740	DATE
eurjchem-2316	4	19	estado de méxico	ORG
eurjchem-2316	4	20	3	CARDINAL
eurjchem-2316	4	21	departamento de ingeniería	ORG
eurjchem-2316	4	22	tecnológico de estudios superiores de cuautitlán izcalli	ORG
eurjchem-2316	4	23	cuautitlán izcalli	PERSON
eurjchem-2316	4	24	54748	DATE
eurjchem-2316	4	25	estado de méxico	ORG
eurjchem-2316	4	26	méxico 4 centro de investigaciones	ORG
eurjchem-2316	4	27	teóricas	ORG
eurjchem-2316	4	28	facultad de estudios	ORG
eurjchem-2316	4	29	universidad nacional autónoma de méxico	ORG
eurjchem-2316	4	30	cuautitlán izcalli	ORG
eurjchem-2316	4	31	54740	DATE
eurjchem-2316	4	32	estado de méxico	ORG
eurjchem-2316	4	33	méxico	GPE
eurjchem-2316	4	34	departamento de química	PERSON
eurjchem-2316	4	35	facultad de estudios	ORG
eurjchem-2316	4	36	universidad nacional autónoma de méxico	ORG
eurjchem-2316	4	37	cuautitlán izcalli	ORG
eurjchem-2316	4	38	54740	DATE
eurjchem-2316	4	39	estado de méxico	ORG
eurjchem-2316	4	40	méxico	GPE
eurjchem-2316	6	1	30	CARDINAL
eurjchem-2316	6	2	2022	CARDINAL
eurjchem-2316	6	3	05	CARDINAL
eurjchem-2316	6	4	09	CARDINAL
eurjchem-2316	6	5	31	CARDINAL
eurjchem-2316	6	6	2022	CARDINAL
eurjchem-2316	6	7	31	CARDINAL
eurjchem-2316	6	8	2022	CARDINAL
eurjchem-2316	6	9	nh3	CARDINAL
eurjchem-2316	7	1	nh3	CARDINAL
eurjchem-2316	8	1	nh3	PERSON
eurjchem-2316	9	1	two	CARDINAL
eurjchem-2316	10	1	two	CARDINAL
eurjchem-2316	10	2	3.0	CARDINAL
eurjchem-2316	10	3	3.2	CARDINAL
eurjchem-2316	11	1	6-31g(d	CARDINAL
eurjchem-2316	13	1	j. chem	ORG
eurjchem-2316	14	1	2022	CARDINAL
eurjchem-2316	14	2	13(4	DATE
eurjchem-2316	14	3	371-380	CARDINAL
eurjchem-2316	14	4	1	CARDINAL
eurjchem-2316	14	5	2004	DATE
eurjchem-2316	15	1	1	CARDINAL
eurjchem-2316	15	2	the last decade	DATE
eurjchem-2316	15	3	2-5	CARDINAL
eurjchem-2316	17	1	one	CARDINAL
eurjchem-2316	17	2	first	ORDINAL
eurjchem-2316	17	3	2007	DATE
eurjchem-2316	17	4	schedin	PERSON
eurjchem-2316	18	1	6	CARDINAL
eurjchem-2316	18	2	nh3	PERSON
eurjchem-2316	21	1	8	CARDINAL
eurjchem-2316	22	1	gbn	ORG
eurjchem-2316	22	2	11	CARDINAL
eurjchem-2316	23	1	12	CARDINAL
eurjchem-2316	24	1	yu et al	PERSON
eurjchem-2316	25	1	372	CARDINAL
eurjchem-2316	25	2	13	CARDINAL
eurjchem-2316	25	3	4	CARDINAL
eurjchem-2316	25	4	2022	CARDINAL
eurjchem-2316	25	5	371	CARDINAL
eurjchem-2316	25	6	european journal of chemistry	ORG
eurjchem-2316	25	7	nc	GPE
eurjchem-2316	25	8	10.5155	CARDINAL
eurjchem-2316	25	9	3.5	CARDINAL
eurjchem-2316	26	1	two	CARDINAL
eurjchem-2316	26	2	13	CARDINAL
eurjchem-2316	28	1	14	CARDINAL
eurjchem-2316	30	1	15	CARDINAL
eurjchem-2316	31	1	16	CARDINAL
eurjchem-2316	32	1	nh3	CARDINAL
eurjchem-2316	33	1	tang et al	PERSON
eurjchem-2316	34	1	17	CARDINAL
eurjchem-2316	35	1	nh3	CARDINAL
eurjchem-2316	37	1	18	CARDINAL
eurjchem-2316	38	1	19	CARDINAL
eurjchem-2316	39	1	20,21	CARDINAL
eurjchem-2316	39	2	22	CARDINAL
eurjchem-2316	40	1	liu et al	PERSON
eurjchem-2316	41	1	23	CARDINAL
eurjchem-2316	41	2	nh3	CARDINAL
eurjchem-2316	41	3	nh3	CARDINAL
eurjchem-2316	42	1	dft	ORG
eurjchem-2316	43	1	24	CARDINAL
eurjchem-2316	43	2	nh3	PERSON
eurjchem-2316	44	1	bonfanti et al	PERSON
eurjchem-2316	45	1	25	CARDINAL
eurjchem-2316	45	2	39.7 mev	CARDINAL
eurjchem-2316	45	3	nh3	CARDINAL
eurjchem-2316	46	1	6	CARDINAL
eurjchem-2316	47	1	dft	ORG
eurjchem-2316	47	2	nh3	CARDINAL
eurjchem-2316	47	3	26	CARDINAL
eurjchem-2316	48	1	jang et al	PERSON
eurjchem-2316	49	1	27	CARDINAL
eurjchem-2316	49	2	nh3	CARDINAL
eurjchem-2316	49	3	nh3	CARDINAL
eurjchem-2316	50	1	nh3	PERSON
eurjchem-2316	52	1	nh3	CARDINAL
eurjchem-2316	53	1	nh3	CARDINAL
eurjchem-2316	54	1	nh3	CARDINAL
eurjchem-2316	55	1	nh3-pyrrole	CARDINAL
eurjchem-2316	55	2	two	CARDINAL
eurjchem-2316	56	1	2	CARDINAL
eurjchem-2316	56	2	2.1	CARDINAL
eurjchem-2316	56	3	gaussian09	ORG
eurjchem-2316	57	1	28	CARDINAL
eurjchem-2316	58	1	29	CARDINAL
eurjchem-2316	58	2	6-31g(d	CARDINAL
eurjchem-2316	59	1	30	CARDINAL
eurjchem-2316	60	1	2.2	CARDINAL
eurjchem-2316	61	1	31	CARDINAL
eurjchem-2316	62	1	1	CARDINAL
eurjchem-2316	63	1	1	CARDINAL
eurjchem-2316	64	1	eads	PERSON
eurjchem-2316	64	2	1	CARDINAL
eurjchem-2316	64	3	nh3	PERSON
eurjchem-2316	64	4	pyc	PERSON
eurjchem-2316	64	5	2	CARDINAL
eurjchem-2316	64	6	3	CARDINAL
eurjchem-2316	65	1	olmedo	PERSON
eurjchem-2316	65	2	13	CARDINAL
eurjchem-2316	65	3	4	CARDINAL
eurjchem-2316	65	4	2022	CARDINAL
eurjchem-2316	65	5	371	CARDINAL
eurjchem-2316	65	6	european journal of chemistry	ORG
eurjchem-2316	65	7	nc	GPE
eurjchem-2316	65	8	10.5155	CARDINAL
eurjchem-2316	65	9	2	CARDINAL
eurjchem-2316	69	1	1	CARDINAL
eurjchem-2316	70	1	− 𝐸𝐸(𝑀𝑀𝑎𝑎𝑎𝑎𝑎𝑎 − 𝐶𝐶	PERSON
eurjchem-2316	70	2	2	CARDINAL
eurjchem-2316	71	1	− 𝐸𝐸(𝑀𝑀𝑎𝑎𝑎𝑎𝑎𝑎 − 𝑃𝑃𝑃𝑃 − 𝐶𝐶	PERSON
eurjchem-2316	71	2	3	CARDINAL
eurjchem-2316	71	3	3.8	CARDINAL
eurjchem-2316	71	4	3.4	CARDINAL
eurjchem-2316	71	5	3.0	CARDINAL
eurjchem-2316	71	6	2.6	CARDINAL
eurjchem-2316	71	7	2.2	CARDINAL
eurjchem-2316	72	1	nh3	PERSON
eurjchem-2316	73	1	96	CARDINAL
eurjchem-2316	75	1	two	CARDINAL
eurjchem-2316	75	2	three	CARDINAL
eurjchem-2316	76	1	two	CARDINAL
eurjchem-2316	76	2	one	CARDINAL
eurjchem-2316	78	1	54	CARDINAL
eurjchem-2316	78	2	2x	CARDINAL
eurjchem-2316	78	3	6-31g(d	CARDINAL
eurjchem-2316	80	1	2	CARDINAL
eurjchem-2316	82	1	nh3	PERSON
eurjchem-2316	83	1	two	CARDINAL
eurjchem-2316	84	1	3.4	CARDINAL
eurjchem-2316	84	2	3.0	CARDINAL
eurjchem-2316	84	3	2.6	CARDINAL
eurjchem-2316	84	4	2.2	CARDINAL
eurjchem-2316	84	5	1.8	CARDINAL
eurjchem-2316	85	1	two	CARDINAL
eurjchem-2316	85	2	two	CARDINAL
eurjchem-2316	85	3	nh3	CARDINAL
eurjchem-2316	88	1	nh3	PERSON
eurjchem-2316	88	2	24	CARDINAL
eurjchem-2316	89	1	mev	PERSON
eurjchem-2316	89	2	24,25	CARDINAL
eurjchem-2316	89	3	four	CARDINAL
eurjchem-2316	90	1	10-2e	CARDINAL
eurjchem-2316	90	2	24	CARDINAL
eurjchem-2316	91	1	374	CARDINAL
eurjchem-2316	91	2	13	CARDINAL
eurjchem-2316	91	3	4	CARDINAL
eurjchem-2316	91	4	2022	CARDINAL
eurjchem-2316	91	5	371	CARDINAL
eurjchem-2316	91	6	european journal of chemistry	ORG
eurjchem-2316	91	7	nc	GPE
eurjchem-2316	91	8	10.5155	CARDINAL
eurjchem-2316	91	9	1	CARDINAL
eurjchem-2316	91	10	eads	PERSON
eurjchem-2316	91	11	mev	PERSON
eurjchem-2316	91	12	eads	PERSON
eurjchem-2316	91	13	ehomo	NORP
eurjchem-2316	92	1	5.9022	CARDINAL
eurjchem-2316	92	2	344.9 -6.3498	DATE
eurjchem-2316	92	3	5.6875	CARDINAL
eurjchem-2316	93	1	3	CARDINAL
eurjchem-2316	97	1	3	CARDINAL
eurjchem-2316	97	2	3.1	CARDINAL
eurjchem-2316	98	1	coronene-pyrrole	PERSON
eurjchem-2316	98	2	approximately 5°	TIME
eurjchem-2316	98	3	3.0-3.4	CARDINAL
eurjchem-2316	98	4	π-π	ORG
eurjchem-2316	98	5	2a	CARDINAL
eurjchem-2316	98	6	2b	CARDINAL
eurjchem-2316	98	7	344.9 mev	CARDINAL
eurjchem-2316	98	8	1	CARDINAL
eurjchem-2316	99	1	jang et al	PERSON
eurjchem-2316	100	1	27	CARDINAL
eurjchem-2316	100	2	41	CARDINAL
eurjchem-2316	101	1	2b	CARDINAL
eurjchem-2316	101	2	2.96	CARDINAL
eurjchem-2316	101	3	3.16	DATE
eurjchem-2316	101	4	3.19	CARDINAL
eurjchem-2316	102	1	3.46 å	PERCENT
eurjchem-2316	103	1	2	CARDINAL
eurjchem-2316	103	2	van der waals force	PERSON
eurjchem-2316	104	1	2c	CARDINAL
eurjchem-2316	104	2	2d	DATE
eurjchem-2316	105	1	12°	QUANTITY
eurjchem-2316	106	1	2.99	CARDINAL
eurjchem-2316	106	2	3.52	CARDINAL
eurjchem-2316	106	3	3.28	CARDINAL
eurjchem-2316	107	1	3.52 å	PERCENT
eurjchem-2316	110	1	3.2	CARDINAL
eurjchem-2316	112	1	nh3	CARDINAL
eurjchem-2316	113	1	1	CARDINAL
eurjchem-2316	115	1	the homo-lumo	ORG
eurjchem-2316	115	2	5.69	CARDINAL
eurjchem-2316	115	3	5.90	CARDINAL
eurjchem-2316	116	1	214.7	CARDINAL
eurjchem-2316	118	1	270.5 mev	CARDINAL
eurjchem-2316	118	2	55.8 mev	CARDINAL
eurjchem-2316	119	1	3	CARDINAL
eurjchem-2316	121	1	two	CARDINAL
eurjchem-2316	122	1	3.3	CARDINAL
eurjchem-2316	123	1	firstly	ORDINAL
eurjchem-2316	123	2	175-207 mev	QUANTITY
eurjchem-2316	123	3	2	CARDINAL
eurjchem-2316	124	1	4	CARDINAL
eurjchem-2316	125	1	4a	CARDINAL
eurjchem-2316	125	2	one	CARDINAL
eurjchem-2316	125	3	207.12 mev	CARDINAL
eurjchem-2316	125	4	193.28 mev	QUANTITY
eurjchem-2316	126	1	3.35 å	CARDINAL
eurjchem-2316	126	2	about 3.0-3.2 å	CARDINAL
eurjchem-2316	127	1	4b	CARDINAL
eurjchem-2316	127	2	4a	CARDINAL
eurjchem-2316	127	3	13	CARDINAL
eurjchem-2316	127	4	4	CARDINAL
eurjchem-2316	127	5	2022	CARDINAL
eurjchem-2316	127	6	371	CARDINAL
eurjchem-2316	127	7	european journal of chemistry	ORG
eurjchem-2316	127	8	nc	GPE
eurjchem-2316	127	9	10.5155	CARDINAL
eurjchem-2316	127	10	2	CARDINAL
eurjchem-2316	127	11	mev	PERSON
eurjchem-2316	127	12	mev	PERSON
eurjchem-2316	128	1	eads δhomo-lumo	PERSON
eurjchem-2316	128	2	175-207 5.2303	MONEY
eurjchem-2316	128	3	240	CARDINAL
eurjchem-2316	128	4	4.8186	CARDINAL
eurjchem-2316	128	5	181	CARDINAL
eurjchem-2316	128	6	5.9022 ev	MONEY
eurjchem-2316	129	1	5.6875	CARDINAL
eurjchem-2316	130	1	4	CARDINAL
eurjchem-2316	131	1	two	CARDINAL
eurjchem-2316	132	1	5	CARDINAL
eurjchem-2316	134	1	two	CARDINAL
eurjchem-2316	135	1	3.18	DATE
eurjchem-2316	135	2	3.29 å	PERCENT
eurjchem-2316	135	3	two	CARDINAL
eurjchem-2316	135	4	3.23-3.28	CARDINAL
eurjchem-2316	135	5	3a	CARDINAL
eurjchem-2316	136	1	3a	CARDINAL
eurjchem-2316	136	2	179.73 mev	CARDINAL
eurjchem-2316	137	1	eads	ORG
eurjchem-2316	138	1	3.4	CARDINAL
eurjchem-2316	138	2	5a	CARDINAL
eurjchem-2316	138	3	one	CARDINAL
eurjchem-2316	139	1	279.39 mev	CARDINAL
eurjchem-2316	140	1	2.42 å	PERCENT
eurjchem-2316	141	1	2.65	CARDINAL
eurjchem-2316	141	2	2.67	CARDINAL
eurjchem-2316	141	3	3.03.2	CARDINAL
eurjchem-2316	141	4	four	CARDINAL
eurjchem-2316	142	1	third	ORDINAL
eurjchem-2316	143	1	one	CARDINAL
eurjchem-2316	143	2	only one	CARDINAL
eurjchem-2316	143	3	2.55	CARDINAL
eurjchem-2316	143	4	2.66	CARDINAL
eurjchem-2316	143	5	3.1 å	QUANTITY
eurjchem-2316	143	6	239.88 mev	QUANTITY
eurjchem-2316	144	1	90 degrees	QUANTITY
eurjchem-2316	145	1	240	CARDINAL
eurjchem-2316	146	1	376	CARDINAL
eurjchem-2316	146	2	13	CARDINAL
eurjchem-2316	146	3	4	CARDINAL
eurjchem-2316	146	4	2022	CARDINAL
eurjchem-2316	146	5	371	CARDINAL
eurjchem-2316	146	6	european journal of chemistry	ORG
eurjchem-2316	146	7	nc	GPE
eurjchem-2316	146	8	10.5155	CARDINAL
eurjchem-2316	146	9	3	CARDINAL
eurjchem-2316	146	10	mev	PERSON
eurjchem-2316	146	11	mev	PERSON
eurjchem-2316	147	1	eads δhomo-lumo	PERSON
eurjchem-2316	147	2	nh3	CARDINAL
eurjchem-2316	147	3	160	CARDINAL
eurjchem-2316	148	1	438	CARDINAL
eurjchem-2316	148	2	193	CARDINAL
eurjchem-2316	148	3	5.8483 160.8	QUANTITY
eurjchem-2316	149	1	5.9022 ev	MONEY
eurjchem-2316	150	1	5.6875	CARDINAL
eurjchem-2316	151	1	6	CARDINAL
eurjchem-2316	153	1	5b	CARDINAL
eurjchem-2316	153	2	two	CARDINAL
eurjchem-2316	153	3	one	CARDINAL
eurjchem-2316	153	4	5b	CARDINAL
eurjchem-2316	153	5	three	CARDINAL
eurjchem-2316	153	6	217.14	CARDINAL
eurjchem-2316	153	7	224.21 mev	QUANTITY
eurjchem-2316	154	1	n-n	PRODUCT
eurjchem-2316	154	2	2.99 å.	PERCENT
eurjchem-2316	155	1	one	CARDINAL
eurjchem-2316	155	2	181.1 mev	CARDINAL
eurjchem-2316	156	1	181-279	CARDINAL
eurjchem-2316	156	2	175-207 mev	QUANTITY
eurjchem-2316	156	3	2	CARDINAL
eurjchem-2316	157	1	firstly	ORDINAL
eurjchem-2316	157	2	secondly	ORDINAL
eurjchem-2316	159	1	3.5	CARDINAL
eurjchem-2316	160	1	coronene-pyrrole-no2	PERSON
eurjchem-2316	160	2	2	CARDINAL
eurjchem-2316	160	3	three	CARDINAL
eurjchem-2316	162	1	three	CARDINAL
eurjchem-2316	164	1	two	CARDINAL
eurjchem-2316	165	1	6	CARDINAL
eurjchem-2316	165	2	three	CARDINAL
eurjchem-2316	165	3	6b	CARDINAL
eurjchem-2316	167	1	6b	CARDINAL
eurjchem-2316	168	1	3.6	CARDINAL
eurjchem-2316	169	1	nh3	CARDINAL
eurjchem-2316	169	2	160	CARDINAL
eurjchem-2316	169	3	3	CARDINAL
eurjchem-2316	170	1	7	CARDINAL
eurjchem-2316	171	1	nh3	CARDINAL
eurjchem-2316	171	2	nc	GPE
eurjchem-2316	171	3	3.11	CARDINAL
eurjchem-2316	171	4	3.30	CARDINAL
eurjchem-2316	171	5	7a	CARDINAL
eurjchem-2316	171	6	175.5 mev	CARDINAL
eurjchem-2316	171	7	two	CARDINAL
eurjchem-2316	171	8	nh3	CARDINAL
eurjchem-2316	171	9	two	CARDINAL
eurjchem-2316	171	10	2.82-2.85	CARDINAL
eurjchem-2316	171	11	third	ORDINAL
eurjchem-2316	171	12	13	CARDINAL
eurjchem-2316	171	13	4	CARDINAL
eurjchem-2316	171	14	2022	CARDINAL
eurjchem-2316	171	15	371	CARDINAL
eurjchem-2316	171	16	european journal of chemistry	ORG
eurjchem-2316	171	17	nc	GPE
eurjchem-2316	171	18	10.5155	CARDINAL
eurjchem-2316	171	19	7	CARDINAL
eurjchem-2316	172	1	two	CARDINAL
eurjchem-2316	172	2	nh3	CARDINAL
eurjchem-2316	173	1	8	CARDINAL
eurjchem-2316	174	1	nh3	CARDINAL
eurjchem-2316	174	2	nh3	CARDINAL
eurjchem-2316	175	1	one	CARDINAL
eurjchem-2316	176	1	7b	CARDINAL
eurjchem-2316	176	2	2.92-2.97	CARDINAL
eurjchem-2316	176	3	169.15 mev	QUANTITY
eurjchem-2316	177	1	160.38 mev	QUANTITY
eurjchem-2316	178	1	3.7	CARDINAL
eurjchem-2316	179	1	coronene-pyrrole-nh3	PERSON
eurjchem-2316	179	2	nh3	PERSON
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eurjchem-2316	221	5	1	CARDINAL
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eurjchem-2316	222	6	s. v.;	PERSON
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eurjchem-2316	222	8	d.	NORP
eurjchem-2316	222	9	s. v.;	PERSON
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eurjchem-2316	224	1	2	CARDINAL
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eurjchem-2316	235	1	4	CARDINAL
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eurjchem-2316	244	6	s. v.;	PERSON
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eurjchem-2316	247	2	6	DATE
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eurjchem-2316	252	3	3	DATE
eurjchem-2316	252	4	1746–1753	DATE
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eurjchem-2316	263	3	d.	NORP
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eurjchem-2316	281	2	20, 185504	DATE
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eurjchem-2316	286	2	21	DATE
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eurjchem-2316	297	3	29	DATE
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eurjchem-2316	304	2	139	DATE
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eurjchem-2316	305	1	21	CARDINAL
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eurjchem-2316	316	1	23	CARDINAL
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eurjchem-2316	317	5	d.	NORP
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eurjchem-2316	326	2	77	DATE
eurjchem-2316	326	3	125416	DATE
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eurjchem-2316	328	1	bonfanti	PERSON
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eurjchem-2316	332	2	111	DATE
eurjchem-2316	332	3	16	DATE
eurjchem-2316	332	4	5825–5829	DATE
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eurjchem-2316	334	9	j.	PERSON
eurjchem-2316	334	10	c. j.	PERSON
eurjchem-2316	334	11	nh3	CARDINAL
eurjchem-2316	335	1	j. phys	ORG
eurjchem-2316	338	1	2013	DATE
eurjchem-2316	338	2	117	CARDINAL
eurjchem-2316	338	3	10698–10707	DATE
eurjchem-2316	339	1	27	CARDINAL
eurjchem-2316	340	1	jang	PERSON
eurjchem-2316	340	2	yun	PERSON
eurjchem-2316	340	3	j.; kim	PERSON
eurjchem-2316	340	4	lee	PERSON
eurjchem-2316	343	1	sci	ORG
eurjchem-2316	343	2	2013	DATE
eurjchem-2316	343	3	291	CARDINAL
eurjchem-2316	343	4	1095–1103	DATE
eurjchem-2316	344	1	28	CARDINAL
eurjchem-2316	344	2	m. j.	PERSON
eurjchem-2316	344	3	g. w.	PERSON
eurjchem-2316	344	4	schlegel	ORG
eurjchem-2316	344	5	h. b.	PERSON
eurjchem-2316	344	6	scuseria	GPE
eurjchem-2316	344	7	g. e.	PERSON
eurjchem-2316	344	8	robb	PERSON
eurjchem-2316	344	9	m. a.	PERSON
eurjchem-2316	344	10	cheeseman	PERSON
eurjchem-2316	344	11	j. r.	PERSON
eurjchem-2316	344	12	montgomery	GPE
eurjchem-2316	344	13	j. a.	PERSON
eurjchem-2316	344	14	vreven	ORG
eurjchem-2316	344	15	kudin	ORG
eurjchem-2316	344	16	k. n.	PERSON
eurjchem-2316	344	17	j. c.	PERSON
eurjchem-2316	344	18	millam	PERSON
eurjchem-2316	344	19	j. m.	PERSON
eurjchem-2316	344	20	s. s.	PERSON
eurjchem-2316	344	21	tomasi	PERSON
eurjchem-2316	344	22	j.	PERSON
eurjchem-2316	344	23	barone	GPE
eurjchem-2316	344	24	mennucci	PERSON
eurjchem-2316	344	25	b.	PERSON
eurjchem-2316	344	26	cossi	GPE
eurjchem-2316	344	27	m.; scalmani	PERSON
eurjchem-2316	344	28	g.	PERSON
eurjchem-2316	344	29	rega	PERSON
eurjchem-2316	344	30	petersson	GPE
eurjchem-2316	344	31	g. a.	PERSON
eurjchem-2316	344	32	nakatsuji, h.	ORG
eurjchem-2316	344	33	hada	ORG
eurjchem-2316	344	34	m.; ehara, m.; toyota	PERSON
eurjchem-2316	344	35	k.; fukuda	PERSON
eurjchem-2316	344	36	r.	NORP
eurjchem-2316	344	37	hasegawa	PERSON
eurjchem-2316	344	38	j.	PERSON
eurjchem-2316	344	39	nakajima	ORG
eurjchem-2316	344	40	t.	GPE
eurjchem-2316	344	41	honda	ORG
eurjchem-2316	344	42	kitao	PERSON
eurjchem-2316	344	43	nakai, h.; klene	ORG
eurjchem-2316	344	44	m.; li	PERSON
eurjchem-2316	344	45	x.	GPE
eurjchem-2316	344	46	knox	GPE
eurjchem-2316	344	47	j. e.	PERSON
eurjchem-2316	344	48	hratchian, h. p.; cross	ORG
eurjchem-2316	344	49	j. b.	PERSON
eurjchem-2316	344	50	adamo	GPE
eurjchem-2316	344	51	j.; gomperts	PERSON
eurjchem-2316	344	52	r.	NORP
eurjchem-2316	344	53	stratmann, r. e.; yazyev	GPE
eurjchem-2316	344	54	austin	GPE
eurjchem-2316	344	55	a. j.; cammi	PERSON
eurjchem-2316	344	56	r.; pomelli	PERSON
eurjchem-2316	344	57	j. w.	PERSON
eurjchem-2316	344	58	ayala	GPE
eurjchem-2316	344	59	k.	PERSON
eurjchem-2316	344	60	voth	PERSON
eurjchem-2316	344	61	g. a.	PERSON
eurjchem-2316	344	62	salvador	GPE
eurjchem-2316	344	63	dannenberg	GPE
eurjchem-2316	344	64	j. j.	PERSON
eurjchem-2316	344	65	v. g.	PERSON
eurjchem-2316	344	66	daniels	GPE
eurjchem-2316	344	67	a. d.	PERSON
eurjchem-2316	344	68	m. c.	PERSON
eurjchem-2316	344	69	farkas	ORG
eurjchem-2316	344	70	malick	PERSON
eurjchem-2316	344	71	d. k.	PERSON
eurjchem-2316	344	72	rabuck, a. d.	PERSON
eurjchem-2316	344	73	j. b.	PERSON
eurjchem-2316	344	74	j. v.	PERSON
eurjchem-2316	344	75	q.	PERSON
eurjchem-2316	344	76	baboul	GPE
eurjchem-2316	344	77	a. g.	PERSON
eurjchem-2316	344	78	clifford	ORG
eurjchem-2316	344	79	s.	PERSON
eurjchem-2316	344	80	j.; stefanov	PERSON
eurjchem-2316	344	81	b. b.	PERSON
eurjchem-2316	345	1	liu	PERSON
eurjchem-2316	345	2	a.; piskorz	PERSON
eurjchem-2316	345	3	i.	PERSON
eurjchem-2316	345	4	martin	PERSON
eurjchem-2316	345	5	r. l.	PERSON
eurjchem-2316	345	6	fox	ORG
eurjchem-2316	345	7	d. j.	PERSON
eurjchem-2316	345	8	keith	PERSON
eurjchem-2316	345	9	al-laham	ORG
eurjchem-2316	345	10	m. a.	PERSON
eurjchem-2316	345	11	peng	PERSON
eurjchem-2316	345	12	c. y.	PERSON
eurjchem-2316	345	13	nanayakkara, a.	ORG
eurjchem-2316	345	14	m.; gill	PERSON
eurjchem-2316	345	15	m. w.	PERSON
eurjchem-2316	345	16	johnson	PERSON
eurjchem-2316	345	17	b.	PERSON
eurjchem-2316	345	18	chen	PERSON
eurjchem-2316	345	19	w.	PERSON
eurjchem-2316	345	20	wong	GPE
eurjchem-2316	345	21	m. w.	PERSON
eurjchem-2316	345	22	gonzalez	PERSON
eurjchem-2316	345	23	j. a. gaussian, inc.	PERSON
eurjchem-2316	345	24	wallingford ct	GPE
eurjchem-2316	345	25	2009	DATE
eurjchem-2316	346	1	29	CARDINAL
eurjchem-2316	347	1	zhao	PERSON
eurjchem-2316	347	2	d. g.	PERSON
eurjchem-2316	347	3	two	CARDINAL
eurjchem-2316	347	4	four	CARDINAL
eurjchem-2316	347	5	12	CARDINAL
eurjchem-2316	348	1	theor	ORG
eurjchem-2316	349	1	2008	DATE
eurjchem-2316	349	2	120	CARDINAL
eurjchem-2316	349	3	215–241	CARDINAL
eurjchem-2316	350	1	30	CARDINAL
eurjchem-2316	351	1	e. g.	PERSON
eurjchem-2316	351	2	s. t	PERSON
eurjchem-2316	351	3	sherrill	GPE
eurjchem-2316	351	4	c. d. assessment	PERSON
eurjchem-2316	352	1	j. chem	PERSON
eurjchem-2316	354	1	2008	DATE
eurjchem-2316	354	2	4	DATE
eurjchem-2316	354	3	12	DATE
eurjchem-2316	354	4	1996–2000	CARDINAL
eurjchem-2316	355	1	31	CARDINAL
eurjchem-2316	356	1	rohini	GPE
eurjchem-2316	356	2	k.; sylvinson	PERSON
eurjchem-2316	356	3	d. m. r.	PERSON
eurjchem-2316	356	4	swathi	GPE
eurjchem-2316	356	5	r. s.	PERSON
eurjchem-2316	356	6	nh3	CARDINAL
eurjchem-2316	357	1	j. phys	ORG
eurjchem-2316	359	1	2015	DATE
eurjchem-2316	359	2	119	CARDINAL
eurjchem-2316	359	3	10935–10945	CARDINAL
eurjchem-2316	360	1	32	CARDINAL
eurjchem-2316	361	1	yeamin	PERSON
eurjchem-2316	361	2	m. b.	PERSON
eurjchem-2316	361	3	m.; cuesta	PERSON
eurjchem-2316	361	4	i. g.	PERSON
eurjchem-2316	361	5	j.; sánchez de merás	PERSON
eurjchem-2316	361	6	a. m. j. multi	PERSON
eurjchem-2316	362	1	rsc adv.	PERSON
eurjchem-2316	362	2	2014	DATE
eurjchem-2316	362	3	4	DATE
eurjchem-2316	362	4	54447–54453	DATE
eurjchem-2316	363	1	33	CARDINAL
eurjchem-2316	364	1	wilson	ORG
eurjchem-2316	364	2	j.	PERSON
eurjchem-2316	364	3	j.; cuesta	PERSON
eurjchem-2316	364	4	i. g.	PERSON
eurjchem-2316	364	5	j.	GPE
eurjchem-2316	364	6	de merás	PERSON
eurjchem-2316	364	7	a.	PERSON
eurjchem-2316	365	1	2018	DATE
eurjchem-2316	365	2	19	DATE
eurjchem-2316	365	3	774–783	CARDINAL
eurjchem-2316	366	1	34	CARDINAL
eurjchem-2316	366	2	i. k.	PERSON
eurjchem-2316	367	1	k. b.	PERSON
eurjchem-2316	367	2	dft	ORG
eurjchem-2316	369	1	theor	PERSON
eurjchem-2316	370	1	2017	CARDINAL
eurjchem-2316	370	2	1117	DATE
eurjchem-2316	370	3	162–168	CARDINAL
eurjchem-2316	371	1	35	CARDINAL
eurjchem-2316	372	1	a. s.	PERSON
eurjchem-2316	372	2	shabestari, s. s.	ORG
eurjchem-2316	372	3	mohseni	ORG
eurjchem-2316	372	4	s.; aghouzi	PERSON
eurjchem-2316	372	5	s. a. study	ORG
eurjchem-2316	372	6	so2	PERSON
eurjchem-2316	372	7	dft	ORG
eurjchem-2316	373	1	j. solid state chem	ORG
eurjchem-2316	374	1	2016	CARDINAL
eurjchem-2316	374	2	237	CARDINAL
eurjchem-2316	374	3	204–210	CARDINAL
eurjchem-2316	375	1	36	CARDINAL
eurjchem-2316	375	2	b.	PERSON
eurjchem-2316	375	3	tabtimsai	GPE
eurjchem-2316	375	4	dft	ORG
eurjchem-2316	376	1	superlattices microstruct	PERSON
eurjchem-2316	377	1	2014	DATE
eurjchem-2316	377	2	67	DATE
eurjchem-2316	377	3	110–117	CARDINAL
eurjchem-2316	378	1	37	CARDINAL
eurjchem-2316	379	1	e. c.	PERSON
eurjchem-2316	379	2	m. s.	PERSON
eurjchem-2316	379	3	cocoletzi,	ORG
eurjchem-2316	380	1	h. h.	PERSON
eurjchem-2316	382	1	2010	DATE
eurjchem-2316	382	2	7	DATE
eurjchem-2316	382	3	2559–2561	CARDINAL
eurjchem-2316	383	1	mailto:smpocquimicas@comunidad.unam.mx	CARDINAL
eurjchem-2316	383	2	380	CARDINAL
eurjchem-2316	383	3	13	CARDINAL
eurjchem-2316	383	4	4	CARDINAL
eurjchem-2316	383	5	2022	CARDINAL
eurjchem-2316	383	6	371	CARDINAL
eurjchem-2316	383	7	european journal of chemistry	ORG
eurjchem-2316	383	8	nc	GPE
eurjchem-2316	383	9	10.5155	CARDINAL
eurjchem-2316	383	10	38	CARDINAL
eurjchem-2316	384	1	pacheco-ortin	PERSON
eurjchem-2316	384	2	s.-m	LANGUAGE
eurjchem-2316	384	3	mejía-olvera	PERSON
eurjchem-2316	384	4	r.	NORP
eurjchem-2316	384	5	e. dft study	PERSON
eurjchem-2316	385	1	j. mol.	PERSON
eurjchem-2316	386	1	2019	DATE
eurjchem-2316	386	2	25	DATE
eurjchem-2316	386	3	91	DATE
eurjchem-2316	387	1	39	CARDINAL
eurjchem-2316	388	1	chung	ORG
eurjchem-2316	388	2	l. w.	PERSON
eurjchem-2316	388	3	sameera	ORG
eurjchem-2316	388	4	w. m. c.; ramozzi	PERSON
eurjchem-2316	388	5	r.	NORP
eurjchem-2316	388	6	a. j.	PERSON
eurjchem-2316	388	7	m.; petrova	PERSON
eurjchem-2316	388	8	g. p.	PERSON
eurjchem-2316	388	9	harris	ORG
eurjchem-2316	388	10	t. v.	PERSON
eurjchem-2316	388	11	li	PERSON
eurjchem-2316	388	12	x.	GPE
eurjchem-2316	388	13	z.; liu, f.	PERSON
eurjchem-2316	388	14	li	PERSON
eurjchem-2316	391	1	2015	DATE
eurjchem-2316	391	2	115	CARDINAL
eurjchem-2316	391	3	5678–5796	CARDINAL
eurjchem-2316	392	1	40	CARDINAL
eurjchem-2316	393	1	mayhall	PERSON
eurjchem-2316	393	2	n. j.	PERSON
eurjchem-2316	393	3	k. molecules-in	PERSON
eurjchem-2316	394	1	j. chem	ORG
eurjchem-2316	396	1	2011	DATE
eurjchem-2316	396	2	7	DATE
eurjchem-2316	396	3	1336	CARDINAL
eurjchem-2316	396	4	1343	DATE
eurjchem-2316	397	1	41	CARDINAL
eurjchem-2316	398	1	z.	PERSON
eurjchem-2316	398	2	huang	PERSON
eurjchem-2316	398	3	yang	PERSON
eurjchem-2316	398	4	x.	GPE
eurjchem-2316	398	5	zang	GPE
eurjchem-2316	399	1	j. phys	PERSON
eurjchem-2316	401	1	lett.	GPE
eurjchem-2316	402	1	2011	DATE
eurjchem-2316	402	2	2	DATE
eurjchem-2316	402	3	22	DATE
eurjchem-2316	402	4	2897–2905	CARDINAL
eurjchem-2316	403	1	2022	CARDINAL
eurjchem-2316	404	1	atlanta publishing house	ORG
eurjchem-2316	404	2	llc	GPE
eurjchem-2316	404	3	atlanta	GPE
eurjchem-2316	404	4	ga, usa	ORG
eurjchem-2316	405	1	nc	GPE
eurjchem-2316	407	1	nc	GPE
eurjchem-2316	407	2	atlanta	GPE
eurjchem-2316	407	3	house llc (european journal of chemistry	ORG
eurjchem-2316	409	1	atlanta	GPE
eurjchem-2316	409	2	house llc (european journal of chemistry	ORG
eurjchem-2316	410	1	1	CARDINAL
eurjchem-2316	410	2	2	CARDINAL
eurjchem-2316	410	3	2.1	CARDINAL
eurjchem-2316	410	4	2.2	CARDINAL
eurjchem-2316	410	5	3	CARDINAL
eurjchem-2316	410	6	3.1	CARDINAL
eurjchem-2316	411	1	coronene-pyrrole	PERSON
eurjchem-2316	411	2	3.2	CARDINAL
eurjchem-2316	412	1	3.3	CARDINAL
eurjchem-2316	413	1	3.4	CARDINAL
eurjchem-2316	414	1	3.5	CARDINAL
eurjchem-2316	415	1	coronene-pyrrole-no2	PERSON
eurjchem-2316	415	2	3.6	CARDINAL
eurjchem-2316	416	1	3.7	CARDINAL
eurjchem-2316	417	1	coronene-pyrrole-nh3	PERSON
eurjchem-2316	417	2	3.8	CARDINAL
eurjchem-2316	418	1	coronene-pyrrole-nh3	PERSON
eurjchem-2316	418	2	nh3	CARDINAL
eurjchem-2316	418	3	4	CARDINAL
eurjchem-2316	419	1	printfield12	PERSON
eurjchem-2316	419	2	printfield17	ORG
eurjchem-2316	419	3	printfield19	PERSON
eurjchem-2316	419	4	printfield20	PERSON
eurjchem-2316	419	5	printfield22	PERSON
eurjchem-2316	419	6	printfield24	NORP