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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_M06L_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -2642.24802615; Eh | ||||
27-Sep-2021 | SCO_M06L_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2902.26006348; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.03207165; 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_S17_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2433.96628684; 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_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2433.98235835; 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_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2630.38909229; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2630.37885422; Eh |
Results 51-60 of 240 (Search time: 0.001 seconds).