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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 As01Mo05W04O31-3H-iso-144 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.54554001; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W02O19-0H-iso-64 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -7.76911150; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W06O39-2H-iso-23950443 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.42114946; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W04O39-2H-iso-14653491 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.29687087; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-3H-iso-136370 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.34920623; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-1H-iso-18328801 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.35598161; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-1H-iso-136328 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.36408057; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W05O34-1H-iso-201606 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.38653909; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W04O34-1H-iso-163448 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.32401990; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W07O39-0H-iso-201606 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.46561385; Eh |
Results 101231-101240 of 101944 (Search time: 0.047 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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