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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | 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 | ||
 | TS-D_-E_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1283.20390852; Eh | ||
 | TS-B_-E_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1283.11762520; Eh | ||
 | TS-B_-D_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(D) GENECP | -1283.13505602; Eh | ||
 | TS-3B_bis-3B_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15224389; Eh | ||
 | TS-3B_-A_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15407101; Eh | ||
 | TS-3B_-3C_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15185087; Eh | ||
 | TS-osC_-E_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15426108; Eh |
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