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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsMo As01Mo03O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.18011812; Eh | |||
| 19-Mar-2026 | /AsMo As00Mo02O07-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -2.92778699; Eh | |||
| 19-Mar-2026 | /AsMo As01Mo00O04-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.54599137; Eh | |||
| 19-Mar-2026 | /AsMo As00Mo03O11-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.73101915; Eh | |||
| 19-Mar-2026 | /AsMo As00Mo03O09-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.50723432; Eh | |||
| 19-Mar-2026 | /AsMo As00Mo01O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.75055714; Eh | |||
| 19-Mar-2026 | /AsMo As01Mo00O04-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.50251367; Eh | |||
| 19-Mar-2026 | /AsW As01W09O31-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.84341455; Eh | |||
| 19-Mar-2026 | /AsW As01W11O39-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.72801094; Eh | |||
| 19-Mar-2026 | /AsW As01W09O31-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.94268599; Eh |
Results 100501-100510 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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