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 | /PMoW P01Mo04W05O34-3H-iso-2593 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.60562127; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W05O31-1H-iso-20520 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.88362116; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo03W06O34-0H-iso-25212 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.55843317; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo03W02O19-2H-iso-6 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.85701971; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W01O13-3H-iso-2 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.34719014; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo02W01O10-0H-iso-3 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.24033416; Eh | |||
| 19-Mar-2026 | /Nb Nb08O25-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -11.81124642; Eh | |||
| 19-Mar-2026 | /Nb Nb16O49-8H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -23.17226446; Eh | |||
| 19-Mar-2026 | /Nb Nb06O19-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01691747; Eh | |||
| 19-Mar-2026 | /Nb Nb01O04-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.91474693; Eh |
Results 100471-100480 of 101953 (Search time: 0.06 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 >