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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2026 | /SiMoW Si01Mo02W07O31-0H-iso-34560 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.21490180; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo01W08O31-2H-iso-600 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.24589131; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo02W09O39-0H-iso-484 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.92104532; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo02W03O19-0H-iso-3 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.16655298; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo01W05O22-1H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.51139836; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo01W05O22-0H-iso-96 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.49581056; Eh | |||
| 18-Mar-2026 | /SiMo Si01Mo09O34-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.42090803; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta03W08O39-3H-iso-2540233 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.21347965; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta06W05O39-2H-iso-18159120 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.52604566; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta02W09O39-3H-iso-32659218 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.06704966; Eh |
Results 101091-101100 of 101944 (Search time: 0.048 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 >