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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 Si00W01O04-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.77745326; Eh | |||
| 19-Mar-2026 | /SiW Si00W01O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.80180008; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo03W09O40-1H-iso-29060736 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.84594851; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W09O39-2H-iso-3604 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.77597165; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W05O31-0H-iso-204961 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.91776640; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo02W04O21-1H-iso-480 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.12722169; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo01W04O19-2H-iso-96 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.96457344; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo02W01O09-2H-iso-2 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.47472775; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W01O13-0H-iso-2 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.37809227; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo00W06O22-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.35802612; Eh |
Results 101141-101150 of 101944 (Search time: 0.048 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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