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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /W W12O42-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -18.33332906; Eh | |||
| 19-Mar-2026 | /W W05O17-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.44794760; Eh | |||
| 19-Mar-2026 | /W W03O10-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.34186081; Eh | |||
| 19-Mar-2026 | /V V05O16-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.06272972; Eh | |||
| 19-Mar-2026 | /V V08O24-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -10.63364359; Eh | |||
| 19-Mar-2026 | /V V04O12-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.32212487; Eh | |||
| 19-Mar-2026 | /V V03O09-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.98577417; Eh | |||
| 19-Mar-2026 | /V V01O05-5H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -2.35780121; Eh | |||
| 19-Mar-2026 | /V V05O16-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -6.98742667; Eh | |||
| 19-Mar-2026 | /V V04O12-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.32359708; Eh |
Results 101731-101740 of 101821 (Search time: 0.06 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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