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 | /PW P00W02O08-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.61708860; Eh | |||
| 19-Mar-2026 | /PW P01W03O13-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.49983864; Eh | |||
| 19-Mar-2026 | /PW P00W02O07-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.06044090; Eh | |||
| 19-Mar-2026 | /PW P00W01O04-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.77745326; Eh | |||
| 19-Mar-2026 | /Mo Mo06O27-12H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo08O35-15H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo09O38-18H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo07O31-13H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo09O37-14H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo03O14-6H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 100531-100540 of 101944 (Search time: 0.052 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 >