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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /PMo P01Mo12O40-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.34973335; Eh | |||
 | 19-Mar-2026 | /PMo P01Mo09O34-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.17811492; Eh | |||
 | 19-Mar-2026 | /PMo P01Mo06O22-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.03116145; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo04W05O31-3H-iso-2220 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.77920709; Eh | |||
 | 19-Mar-2026 | /PMoW P01Mo04W05O34-2H-iso-23130 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.58179328; Eh | |||
 | 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 |
Results 104201-104210 of 104297 (Search time: 0.062 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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