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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_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2630.37885422; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -5117.84620550; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -5117.84444771; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3114.22778335; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3113.83450925; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3113.83207356; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2790.85919622; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2790.85479753; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.25073305; Eh | |||
| 27-Sep-2021 | SCO_M06L_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3158.15782104; Eh |
Results 51-60 of 204 (Search time: 0.001 seconds).