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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_TPSSh_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2791.25755719; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2719.21273828; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.32771957; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.33430018; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2444.66395197; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S17_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2444.63740455; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.36173103; Eh | ||||
27-Sep-2021 | SCO_OPBE_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -4077.23034375; Eh | ||||
27-Sep-2021 | SCO_OPBE_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -8014.48034476; Eh | ||||
27-Sep-2021 | SCO_OPBE_S14_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3460.92163242; Eh |
Results 131-140 of 204 (Search time: 0.001 seconds).