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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /VW V01W09O31-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.18721378; Eh | |||
| 19-Mar-2026 | /VW V02W05O23-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -10.10034378; Eh | |||
| 19-Mar-2026 | /VW V00W03O11-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.89994959; Eh | |||
| 19-Mar-2026 | /VW V01W09O31-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.23716876; Eh | |||
| 19-Mar-2026 | /VW V01W12O40-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.19761682; Eh | |||
| 19-Mar-2026 | /Ta Ta01O4-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.92701329; Eh | |||
| 19-Mar-2026 | /Ta Ta02O7-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.28872224; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W10O40-2H-iso-32659200 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.36057263; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W07O31-1H-iso-30840 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.43762585; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W10O39-2H-iso-4320 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.06493386; Eh |
Results 100591-100600 of 101944 (Search time: 0.051 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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