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 As01Mo07W02O34-0H-iso-90872 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.15376486; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-0H-iso-19981513 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.54534583; Eh | |||
| 19-Mar-2026 | /AsMoW As02Mo04W01O23-0H-iso-32 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.27908722; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W01O22-0H-iso-152 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -8.93137928; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W01O19-0H-iso-33 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -7.71465492; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-2H-iso-18159120 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.36474696; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo09W02O39-2H-iso-8064864 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.17003615; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W05O40-1H-iso-16130221 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.42597992; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-1H-iso-261500412 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48754261; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo01W08O31-3H-iso-600 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.78045927; Eh |
Results 101251-101260 of 101944 (Search time: 0.061 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 >