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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | 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 | ||
 | TD_A | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06; TD-FC | 6-31+G(D) GENECP | -1125.3428295; Eh | ||
 | TD_A_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06; TD-FC | 6-31+G(D) GENECP | -1132.9341928; Eh | ||
 | MECP-osB_bis-3B_bis-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15453257; Eh | ||
 | MECP-osB_bis-3B_bis-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15455194; Eh | ||
 | MECP-B_-A_-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15053809; Eh | ||
 | MECP-B_-A_-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15051634; Eh | ||
 | MECP-B_-3B_bis-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.14706163; Eh | ||
 | MECP-B_-3B_bis-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.14707289; Eh | ||
 | MECP-3C_-osC_-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15632723; Eh | ||
 | MECP-3C_-osC_-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(D) GENECP | -1283.15637160; Eh |
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