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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsTaW As01Ta01W08O31-0H-iso-4 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.14565429; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta07W04O39-3H-iso-14653500 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.71594558; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W05O39-3H-iso-1453251 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.60808760; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W05O39-2H-iso-1613088 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.54776997; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W06O39-2H-iso-181802 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.42034991; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta04W07O39-1H-iso-28224018 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.25929386; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta07W05O40-0H-iso-217729470 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -18.00253510; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta02W07O34-3H-iso-3604 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.96185879; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W06O40-0H-iso-20163456 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.88248985; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta03W06O31-0H-iso-436 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.46015574; Eh |
Results 100431-100440 of 101953 (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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