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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Aug-2023 | /workflow/mol_1/opt T2 | Garcia, Sergio | Orca; 5.0.3; RELEASE | Geometry optimization | TDDFT | def2-SVP | - | |||
 | 4-Aug-2023 | /workflow/mol_1/opt T1 | Garcia, Sergio | Orca; 5.0.3; RELEASE | Geometry optimization | TDDFT | def2-SVP | - | |||
 | 4-Aug-2023 | /campaign/mol_2/comb T2S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | |||
 | 4-Aug-2023 | /campaign/mol_2/comb T1T | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | |||
 | 4-Aug-2023 | /campaign/mol_1/comb T4S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | |||
 | 4-Aug-2023 | /workflow/mol_1/comb T4T | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | |||
 | 4-Aug-2023 | /campaign/mol_2/comb T3S | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - | |||
 | 4-Aug-2023 | /workflow/mol_1/opt S1 | Garcia, Sergio | Orca; 5.0.3; RELEASE | Geometry optimization | TDDFT | def2-SVP | - | |||
 | 4-Aug-2023 | /campaign/mol_1 Freq | Garcia, Sergio | Orca; 5.0.3; RELEASE | Geometry optimization | DFT | def2-SVP | - | |||
 | 4-Aug-2023 | /campaign/mol_2/comb T2T | Garcia, Sergio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-SVP | - |
Results 31-40 of 54 (Search time: 0.0 seconds).