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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /SiW Si01W09O34-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -15.02960054; Eh | |||
| 19-Mar-2026 | /SiW Si02W05O23-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -10.12122888; Eh | |||
| 19-Mar-2026 | /SiW Si01W11O39-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.07989146; Eh | |||
| 19-Mar-2026 | /SiW Si01W03O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.68117489; Eh | |||
| 19-Mar-2026 | /SiW Si00W03O10-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.28168077; Eh | |||
| 19-Mar-2026 | /SiW Si00W06O21-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.24274880; Eh | |||
| 19-Mar-2026 | /SiW Si01W00O04-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.70665411; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W07O39-3H-iso-25404978 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.64169431; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W07O39-3H-iso-25401606 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.64239617; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W05O34-1H-iso-201606 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.54134091; Eh |
Results 100461-100470 of 101953 (Search time: 0.062 seconds).
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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
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