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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 As01Mo08W04O40-1H-iso-175797733 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.36017428; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo08W03O39-2H-iso-731640 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.24087064; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W08O39-2H-iso-241920 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.54551437; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W05O31-3H-iso-23113 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.60595598; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W04O39-0H-iso-15984432 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.28013311; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W05O34-3H-iso-2593 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.44562383; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-0H-iso-1612800 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.54523074; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W01O13-2H-iso-0 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -5.23189855; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W05O40-2H-iso-219769276 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.35482154; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo09W02O39-3H-iso-8075768 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.16363074; Eh |
Results 101221-101230 of 101944 (Search time: 0.059 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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