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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_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4062.50469385; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4062.51147847; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -7991.12412895; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -7991.13630926; 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_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.21052329; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S10_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.65273811; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S10_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.66130708; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.03207165; Eh |
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