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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_OLYP_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2718.81414324; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -5117.84444771; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -5117.84620550; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3114.22778335; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3113.83450925; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2790.85919622; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3113.83207356; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2790.85479753; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -4077.54382941; Eh | |||
![]() | 27-Sep-2021 | SCO_OLYP_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -4077.54438662; Eh |
Results 171-180 of 204 (Search time: 0.001 seconds).