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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 P01Ta01W08O31-2H-iso-600 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.24628510; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W07O34-0H-iso-480 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.93093459; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W02O13-3H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.64801692; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W01O13-1H-iso-2 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.80535499; Eh | |||
| 19-Mar-2026 | /VMo V01Mo09O34-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.41830120; Eh | |||
| 19-Mar-2026 | /VMo V00Mo03O11-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.73104812; Eh | |||
| 19-Mar-2026 | /VMo V01Mo06O22-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.13447623; Eh | |||
| 19-Mar-2026 | /VMo V01Mo09O31-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.67408212; Eh | |||
| 19-Mar-2026 | /VMo V01Mo00O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.83552000; Eh | |||
| 19-Mar-2026 | /VMo V00Mo06O21-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.89914192; Eh |
Results 101811-101820 of 101821 (Search time: 0.072 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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