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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 As01Mo02W01O13-3H-iso-2 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -5.19261526; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo08W01O31-0H-iso-46224 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.53179083; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-2H-iso-19981516 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.35851848; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-2H-iso-1613088 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.35712802; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W06O39-2H-iso-181501 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.42617342; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W06O39-1H-iso-2016000 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.41821925; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W05O31-1H-iso-201661 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.71738271; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W07O40-0H-iso-2044800 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.60740761; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-0H-iso-261297138 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.54545796; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo10W01O39-0H-iso-4037912 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.09396726; Eh |
Results 100551-100560 of 101944 (Search time: 0.048 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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