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_B3LYP_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.28701106; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2902.52907665; Eh | |||
| 27-Sep-2021 | SCO_M06L_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3158.15782104; Eh | |||
| 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_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | DEF2TZVP | -2832.28799400; Eh | |||
| 27-Sep-2021 | SCO_M06L_S3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2866.15647372; Eh | |||
| 27-Sep-2021 | SCO_M06L_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2718.89914591; Eh | |||
| 27-Sep-2021 | SCO_M06L_S3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2866.14747866; Eh | |||
| 27-Sep-2021 | SCO_M06L_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -5117.15966720; Eh |
Results 31-40 of 204 (Search time: 0.001 seconds).