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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-May-2021 | TS-3B_-A_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31+G(D) GENECP | -1283.15407101; Eh | |||
 | 11-May-2021 | TD_A_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06; TD-FC | 6-31+G(D) GENECP | -1132.9341928; Eh | |||
 | 11-May-2021 | MECP-osB_bis-3B_bis-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-31+G(D) GENECP | -1283.15455194; Eh | |||
 | 11-May-2021 | MECP-B_-3B_bis-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-31+G(D) GENECP | -1283.14707289; Eh | |||
 | 11-May-2021 | MECP-3C_-osC_-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-31+G(D) GENECP | -1283.15637160; Eh | |||
 | 11-May-2021 | MECP-B_-A_-singlet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-31+G(D) GENECP | -1283.15051634; Eh | |||
 | 11-May-2021 | 3Bbis | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G(D) GENECP | -1275.55379673; Eh | |||
 | 11-May-2021 | TS-osC_-E_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31+G(D) GENECP | -1283.15426108; Eh | |||
 | 11-May-2021 | 3B_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G(D) GENECP | -1283.15747240; Eh | |||
 | 11-May-2021 | 3C | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G(D) GENECP | -1275.55947030; Eh |
Results 11-20 of 33 (Search time: 0.001 seconds).