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 | /AsMoW As01Mo05W06O39-0H-iso-1834920 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.40441239; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-1H-iso-1453248 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48154081; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo10W01O39-1H-iso-4037760 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.11174494; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo08W01O34-0H-iso-46200 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.09004516; Eh | |||
| 19-Mar-2026 | /AsMoW As02Mo00W05O23-1H-iso-0 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.51590250; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo08W04O40-2H-iso-174320640 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.29475104; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W06O39-3H-iso-15410 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.41185034; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo09W03O40-0H-iso-120557670 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.36138788; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W03O31-0H-iso-122649 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.64488182; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W07O34-1H-iso-480 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.51358838; Eh |
Results 101891-101900 of 101944 (Search time: 0.064 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 >