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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /PMoW P01Mo03W06O31-0H-iso-436 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.97515311; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo02W09O39-0H-iso-484 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.74830702; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo01W02O13-3H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.39582305; Eh | |||
 | 19-Mar-2026 | /PMoW P00Mo04W02O21-1H-iso-249 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01462104; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo02W01O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.38667248; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo00W06O22-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.32737461; Eh | |||
 | 19-Mar-2026 | /PMoW P00Mo00W03O09-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.72670459; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo04W07O39-1H-iso-2419276 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.63995454; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo03W08O39-0H-iso-241922 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.68836423; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo04W07O39-0H-iso-231000 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.62582544; Eh |
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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