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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 P01Mo03W09O40-1H-iso-2540172 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.84692549; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo04W07O39-0H-iso-201606 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.62856816; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo02W04O22-0H-iso-12 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.24844209; Eh | |||
 | 19-Mar-2026 | /PMoW P00Mo01W02O10-2H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.23046146; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo01W08O34-1H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.72815363; Eh | |||
 | 19-Mar-2026 | /PMoW P00Mo01W02O11-1H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.84532179; Eh | |||
 | 19-Mar-2026 | /PMoW P00Mo01W01O08-2H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.56016527; Eh | |||
 | 19-Mar-2026 | /PMoW P00Mo00W03O10-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.28127935; Eh | |||
 | 19-Mar-2026 | /PMoW P00Mo01W01O08-1H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.53910981; Eh | |||
 | 18-Mar-2026 | /AsTaW As01Ta01W08O34-3H-iso-600 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.81832895; Eh |
Results 104231-104240 of 104297 (Search time: 0.063 seconds).
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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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