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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2020	TD_NCS-NCMe-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1834.9363089; Eh
	30-Sep-2020	TD_i8_SCN-doublet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1702.2012483; Eh
	30-Sep-2020	TD_i8_NCS-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1702.2319368; Eh
	30-Sep-2021	/DCM/TS_DCM ch3f-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-151.319711813; Eh
	30-Sep-2020	TD_mer-6coord-SCN-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1890.7622458; Eh
	30-Sep-2020	TD_mer-6coord-NCS-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1890.7806801; Eh
	30-Sep-2020	TD_i7_SCN-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1890.7719295; Eh
	30-Sep-2020	TD_i8_SCN-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1702.2164495; Eh
	30-Sep-2020	TD_i7-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-31+G(D) GENECP	-1890.7856026; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cl-f-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-600.156879710; Eh

Results 7711-7720 of 13266 (Search time: 0.006 seconds).