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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /Mo Mo06O20-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-3H-iso-20162883 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.34901393; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W04O39-3H-iso-14653500 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.28672505; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W05O40-0H-iso-16130522 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48411255; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W06O39-1H-iso-21793011 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.41658265; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W02O34-3H-iso-92461 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.25827244; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W06O34-3H-iso-241993 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.50211024; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W07O31-1H-iso-30840 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.83383027; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W04O31-2H-iso-0 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.60619708; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W06O34-1H-iso-51 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.44898317; Eh |
Results 101751-101760 of 101821 (Search time: 0.065 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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