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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsMoW As01Mo06W03O31-0H-iso-122649 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.64488182; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W07O34-1H-iso-480 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.51358838; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W04O39-0H-iso-81504 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.27831637; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W04O22-0H-iso-12 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.09462203; Eh | |||
| 19-Mar-2026 | /AsMoW As02Mo02W03O23-2H-iso-2 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.38819748; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W03O22-0H-iso-8 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.04022115; Eh | |||
| 19-Mar-2026 | /VW V02W05O23-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -10.09021205; Eh | |||
| 19-Mar-2026 | /VW V01W12O40-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.13558208; Eh | |||
| 19-Mar-2026 | /VW V01W03O13-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.57263308; Eh | |||
| 19-Mar-2026 | /VW V01W06O22-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.46702399; Eh |
Results 101791-101800 of 101821 (Search time: 0.087 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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