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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 As01Mo04W07O39-1H-iso-2419273 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.47476086; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W06O31-1H-iso-242496 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.79193350; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-3H-iso-11808 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.35034282; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W07O40-0H-iso-1816569 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.60749920; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-1H-iso-20162893 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48781312; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W09O40-0H-iso-241933 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.73102620; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo11W01O40-0H-iso-43954713 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.23856793; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo01W02O13-2H-iso-0 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -5.28218415; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W04O39-3H-iso-14653504 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.28730582; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo08W04O40-1H-iso-175635648 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.35884828; Eh |
Results 101771-101780 of 101821 (Search time: 0.097 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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