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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /Ta Ta09O27-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.90375977; Eh | |||
| 19-Mar-2026 | /Ta Ta16O49-8H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -23.44503041; Eh | |||
| 19-Mar-2026 | /Ta Ta02O7-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.34143609; Eh | |||
| 19-Mar-2026 | /Ta Ta03O10-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.72458468; Eh | |||
| 19-Mar-2026 | /Ta Ta10O28-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.27735671; Eh | |||
| 19-Mar-2026 | /Ta Ta06O19-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01670878; Eh | |||
| 19-Mar-2026 | /Ta Ta04O12-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.63759485; Eh | |||
| 19-Mar-2026 | /Ta Ta01O5-4H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -2.46440900; Eh | |||
| 19-Mar-2026 | /VW V01W11O39-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.01550671; Eh | |||
| 19-Mar-2026 | /VW V01W09O31-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.13854140; Eh |
Results 100581-100590 of 101944 (Search time: 0.056 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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