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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsW As01W03O13-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.29212532; Eh | |||
| 19-Mar-2026 | /AsW As01W05O19-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.90782791; Eh | |||
| 19-Mar-2026 | /AsW As01W03O13-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.34540916; Eh | |||
| 19-Mar-2026 | /AsW As01W12O40-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.91663343; Eh | |||
| 19-Mar-2026 | /AsW As00W02O08-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.58985221; Eh | |||
| 19-Mar-2026 | /AsW As00W01O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.80180008; Eh | |||
| 19-Mar-2026 | /PW P01W09O31-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.05863572; Eh | |||
| 19-Mar-2026 | /PW P01W02O11-4H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.79325026; Eh | |||
| 19-Mar-2026 | /PW P02W05O23-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.84550047; Eh | |||
| 19-Mar-2026 | /PW P00W04O15-4H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -6.67743315; Eh |
Results 100511-100520 of 101944 (Search time: 0.056 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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