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| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | TD_NCMe-NCS-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.9299729; Eh | ||
 | TD_NCMe-SCN-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.9079422; Eh | ||
 | TD_NCS-NCMe-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.9302884; Eh | ||
 | TD_SCN-NCMe-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.9064366; Eh | ||
 | TD_NCMe-NCS-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.934529; Eh | ||
 | TD_NCMe-SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.9184696; Eh | ||
 | TD_NCS-NCMe-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.9363089; Eh | ||
 | TD_SCN-NCMe-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1834.9182052; Eh |
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