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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2026 | /AsTaW As01Ta07W05O40-1H-iso-199705080 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -18.02605248; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta02W09O39-1H-iso-32981760 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.02018294; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta03W08O39-2H-iso-241920 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.18447308; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta02W07O34-2H-iso-3600 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.91946180; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta07W05O40-0H-iso-201197088 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -18.00509162; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta03W08O39-0H-iso-241922 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.07582762; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W04O34-3H-iso-161313 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.27205629; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W04O31-2H-iso-161313 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.82141531; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta07W05O40-0H-iso-199722672 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -18.00625166; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta02W09O39-2H-iso-3604 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.05068982; Eh |
Results 101101-101110 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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