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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_OPBE_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2642.03951625; Eh | ||||
27-Sep-2021 | SCO_OPBE_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2831.74343768; Eh | ||||
27-Sep-2021 | SCO_OPBE_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2831.74213349; Eh | ||||
27-Sep-2021 | SCO_OPBE_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2444.25666312; Eh | ||||
27-Sep-2021 | SCO_B3LYP_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -4077.63918685; Eh | ||||
27-Sep-2021 | SCO_B3LYP_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -4077.63667940; Eh | ||||
27-Sep-2021 | SCO_B3LYP_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -8013.55697238; Eh | ||||
27-Sep-2021 | SCO_B3LYP_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -8013.55948049; Eh | ||||
27-Sep-2021 | SCO_B3LYP_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -3114.54441587; Eh | ||||
27-Sep-2021 | SCO_B3LYP_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -3114.54226762; Eh |
Results 131-140 of 240 (Search time: 0.001 seconds).