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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 P01Mo03W08O39-2H-iso-29030413 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.71802472; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W07O39-2H-iso-2177330 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.64879041; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W07O34-1H-iso-480 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.66854101; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo04W02O21-2H-iso-32 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01370706; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo02W01O11-1H-iso-3 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.78764651; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo00W11O39-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.89487631; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo00W03O13-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.49984530; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo00W11O39-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.87347139; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo00W06O21-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.24965596; Eh | |||
| 19-Mar-2026 | /AsMo As01Mo05O19-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.64064919; Eh |
Results 101161-101170 of 101944 (Search time: 0.05 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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