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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | SCO_B3LYP_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2673.37767051; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S15_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2902.52930907; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2902.52907665; Eh | |||
| 27-Sep-2021 | SCO_M06L_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -4077.37259515; Eh | |||
| 27-Sep-2021 | SCO_M06L_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -8013.07381304; Eh | |||
| 27-Sep-2021 | SCO_M06L_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -4077.36154561; Eh | |||
| 27-Sep-2021 | SCO_M06L_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -8013.06541015; Eh | |||
| 27-Sep-2021 | SCO_M06L_S13_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2673.15217831; Eh | |||
| 27-Sep-2021 | SCO_M06L_S14_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | GENECP | -3460.69251189; Eh | |||
| 27-Sep-2021 | SCO_M06L_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2673.14092784; Eh |
Results 91-100 of 204 (Search time: 0.002 seconds).