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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_B3LYPSTAR_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.66864763; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.67695308; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4062.50469385; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S14_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3445.20827108; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S14_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3445.19540294; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S13_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.20234955; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S15_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.94267115; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.21052329; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.95170900; Eh | |||
![]() | 27-Sep-2021 | SCO_B3LYPSTAR_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2630.37885422; Eh |
Results 11-20 of 41 (Search time: 0.001 seconds).