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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_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -4399.59704135; Eh | |||
| 27-Sep-2021 | SCO_M06L_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3158.14629543; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2444.58930768; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.28799400; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.28701106; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -4077.70787716; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S14_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GENECP | -3460.51818391; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S15_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2902.60837006; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S14_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GENECP | -3460.54016983; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2673.47021856; Eh |
Results 61-70 of 204 (Search time: 0.002 seconds).