Browsing by Subject Redox
Showing results 1 to 8 of 8
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Apr-2020 | 0e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | |||
 | 8-Apr-2020 | 12e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | |||
 | 8-Apr-2020 | 18e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | |||
 | 8-Apr-2020 | 1e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | |||
 | 8-Apr-2020 | 24e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | |||
 | 8-Apr-2020 | 6e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | |||
 | 8-Apr-2020 | Capsule_M1 | Petrus, Enric | ADF; 2019 | Geometry optimization | OPBE | TZP | - | |||
 | 8-Apr-2020 | Capsule_M2 | Petrus, Enric | ADF; 2019 | Geometry optimization | OPBE | TZP | - |