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| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | i8_NCS-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1703.08117458; Eh | ||
 | i8_SCN-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1703.07032271; Eh | ||
 | i8_NCS-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1703.09093942; Eh | ||
 | i8_SCN-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1703.09504284; Eh | ||
 | i8_NCS-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1703.08666305; Eh | ||
 | i8_SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1703.07622018; Eh | ||
 | TD_i8_NCS-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1702.2187178; Eh | ||
 | TD_i8_SCN-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1702.2012483; Eh | ||
 | TD_i8_NCS-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1702.2319368; Eh | ||
 | TD_i8_SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1702.2164495; Eh |
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