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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Jan-2021 | 6 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 27-Sep-2021 | SCO_B3LYP_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.25073305; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2832.23878577; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2444.58930768; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.28799400; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.28701106; Eh | |||
 | 9-Jan-2021 | W7 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | W9 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | W1 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | W2 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - |
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