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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 Ta02O7-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.31690361; Eh | |||
 | 19-Mar-2026 | /Ta Ta01O3-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.29054807; Eh | |||
 | 19-Mar-2026 | /Ta Ta04O13-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -6.13509241; Eh | |||
 | 19-Mar-2026 | /Ta Ta09O27-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.79179678; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo05W06O39-3H-iso-15410 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.41185034; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo09W03O40-0H-iso-120557670 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.36138788; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo02W07O34-1H-iso-480 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.51358838; Eh | |||
 | 19-Mar-2026 | /PMo P01Mo11O39-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.21793672; Eh | |||
 | 19-Mar-2026 | /PMo P01Mo12O40-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.21922240; Eh | |||
 | 19-Mar-2026 | /PMo P01Mo09O31-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.55714529; Eh |
Results 104191-104200 of 104297 (Search time: 0.065 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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