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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Sep-2023 | TSAB-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1982.8601183; Eh | |||
| 1-Sep-2023 | A1-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1982.8698276; Eh | |||
| 1-Sep-2023 | HFIPradical | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -789.2078654; Eh | |||
| 1-Sep-2023 | CF3radical | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -337.5905399; Eh | |||
| 1-Sep-2023 | IPhOTFAradical | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1055.5007459; Eh | |||
 | 11-May-2021 | MECP-3C-osC-triplet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-31+G(D) GENECP | -1275.55946826; Eh | |||
 | 11-May-2021 | B | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G(D) GENECP | -1275.58678162; Eh | |||
 | 11-May-2021 | TS-3B_bis-3B_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31+G(D) GENECP | -1283.15224389; 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 | -1125.3428295; Eh | |||
 | 11-May-2021 | TS-3B_-3C_ | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31+G(D) GENECP | -1283.15185087; Eh |
Results 61-70 of 162 (Search time: 0.001 seconds).