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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /SiTaW Si01Ta01W08O31-1H-iso-18 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.53578854; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta01W05O22-1H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.72243906; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta01W04O19-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.43922139; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta01W05O22-0H-iso-96 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.69524815; Eh | |||
| 19-Mar-2026 | /W W11O40-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.59237349; Eh | |||
| 19-Mar-2026 | /W W03O11-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.89810842; Eh | |||
| 19-Mar-2026 | /W W03O10-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.28198562; Eh | |||
| 19-Mar-2026 | /W W06O20-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.70723752; Eh | |||
| 19-Mar-2026 | /W W02O07-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.06055492; Eh | |||
| 19-Mar-2026 | /W W01O04-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.77731672; Eh |
Results 101721-101730 of 101821 (Search time: 0.061 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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