Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | SCO_TPSSh_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -4399.98419064; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3158.45237391; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3158.43695614; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2866.49817281; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2719.23061056; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4062.50469385; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4062.51147847; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -7991.12412895; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -7991.13630926; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S14_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3445.19540294; Eh |
Results 11-20 of 204 (Search time: 0.002 seconds).