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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | 3Bbis | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55379673; Eh | ||
 | 3B | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.56054450; Eh | ||
 | 3C | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55947030; Eh | ||
 | B | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.58678162; Eh | ||
 | D | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1275.61983288; Eh | ||
 | E | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1275.65490008; Eh | ||
 | MECP-3C-osC-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55942465; Eh | ||
 | MECP-3C-osC-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55946826; Eh | ||
 | MECP-B-3B-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55704755; Eh | ||
 | MECP-B-3B-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55702336; Eh | ||
 | os-C | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55942465; Eh | ||
 | TS-3B-3C | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55303382; Eh | ||
 | TS-3B-A | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55904047; Eh | ||
 | TS-B-D | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1275.53672072; Eh | ||
 | TS-B-E | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1275.52880389; Eh | ||
 | TS-D-E | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1275.60360048; Eh | ||
 | TS-osC-E | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1275.55808318; Eh |
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