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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /PTaW P01Ta01W08O34-3H-iso-600 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.97727589; Eh | |||
| 19-Mar-2026 | /PTaW P00Ta04W02O21-1H-iso-249 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.68543513; Eh | |||
| 19-Mar-2026 | /PTaW P00Ta01W05O21-1H-iso-600 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.36649729; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta03W02O19-0H-iso-64 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.51850040; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W02O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.65634788; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W08O34-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.84280448; Eh | |||
| 19-Mar-2026 | /VMo V02Mo05O23-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.78715896; Eh | |||
| 19-Mar-2026 | /VMo V01Mo11O39-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.33158974; Eh | |||
| 19-Mar-2026 | /VMo V00Mo03O11-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.73054485; Eh | |||
| 19-Mar-2026 | /VMo V00Mo03O10-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.12861861; Eh |
Results 100601-100610 of 101944 (Search time: 0.05 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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