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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsTaW As01Ta04W05O34-1H-iso-304 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.03690596; Eh | |||
| 19-Mar-2026 | /PMo P01Mo09O34-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.29463838; Eh | |||
| 19-Mar-2026 | /PMo P01Mo03O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.33519232; Eh | |||
| 19-Mar-2026 | /PMo P01Mo09O34-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.23627543; Eh | |||
| 19-Mar-2026 | /PMo P01Mo05O19-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.80132090; Eh | |||
| 19-Mar-2026 | /PMo P01Mo05O19-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.82085395; Eh | |||
| 19-Mar-2026 | /PMo P00Mo01O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.75055617; Eh | |||
| 19-Mar-2026 | /PMo P01Mo00O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.70336271; Eh | |||
| 19-Mar-2026 | /PMo P01Mo00O04-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.65634593; Eh | |||
| 19-Mar-2026 | /PMo P01Mo09O34-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.27663160; Eh |
Results 100441-100450 of 101953 (Search time: 0.07 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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