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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_OPBE_S10_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2718.64488782; Eh | ||||
27-Sep-2021 | SCO_OPBE_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -2831.69487096; Eh | ||||
27-Sep-2021 | SCO_OLYP_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -4399.69792668; Eh | ||||
27-Sep-2021 | SCO_OLYP_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3158.26924723; Eh | ||||
27-Sep-2021 | SCO_OLYP_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -4399.69693365; Eh | ||||
27-Sep-2021 | SCO_OLYP_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3158.26916123; Eh | ||||
27-Sep-2021 | SCO_OLYP_S3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2866.07903600; Eh | ||||
27-Sep-2021 | SCO_OPBE_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2831.74213349; Eh | ||||
27-Sep-2021 | SCO_OPBE_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2831.74343768; Eh | ||||
27-Sep-2021 | SCO_OLYP_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -8014.64549109; Eh |
Results 81-90 of 240 (Search time: 0.001 seconds).