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_B3LYPSTAR_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.21052329; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.95170900; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.02875522; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.03207165; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S17_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2433.96628684; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.07646446; Eh | |||
| 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_B3LYPSTAR_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2630.38909229; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2433.98235835; Eh | |||
| 27-Sep-2021 | SCO_SO_LowSpin_3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2736.85958439; Eh |
Results 31-40 of 41 (Search time: 0.001 seconds).