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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /V V01O04-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.85678304; Eh | |||
| 19-Mar-2026 | /V V05O14-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -6.08379691; Eh | |||
| 19-Mar-2026 | /V V06O19-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.26597188; Eh | |||
| 19-Mar-2026 | /V V06O18-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.97496237; Eh | |||
| 19-Mar-2026 | /V V01O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.83556153; Eh | |||
| 19-Mar-2026 | /Mo Mo03O14-7H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -6.31840171; Eh | |||
| 19-Mar-2026 | /Mo Mo08O35-14H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo09O38-15H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo09O38-16H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo07O24-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 101201-101210 of 101944 (Search time: 0.055 seconds).
Discover
Subject
- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
- next >