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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_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2832.02660839; Eh | ||||
27-Sep-2021 | SCO_M06L_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -2832.03188724; Eh | ||||
27-Sep-2021 | SCO_M06L_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2444.38334600; Eh | ||||
27-Sep-2021 | SCO_M06L_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3158.15782104; Eh | ||||
27-Sep-2021 | SCO_M06L_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -5117.15966720; Eh | ||||
27-Sep-2021 | SCO_M06L_S5_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2708.79600453; Eh | ||||
27-Sep-2021 | SCO_M06L_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -5117.14825482; Eh | ||||
27-Sep-2021 | SCO_M06L_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -3113.88911759; Eh | ||||
27-Sep-2021 | SCO_M06L_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -3113.87696917; Eh | ||||
27-Sep-2021 | SCO_M06L_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2790.94233780; Eh |
Results 501-510 of 665 (Search time: 0.002 seconds).