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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 P01Mo04W07O39-3H-iso-25404978 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.64169431; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W07O39-3H-iso-25401606 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.64239617; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W05O34-1H-iso-201606 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.54134091; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W05O34-3H-iso-2593 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.60562127; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W05O31-1H-iso-20520 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.88362116; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo03W06O34-0H-iso-25212 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.55843317; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo03W02O19-2H-iso-6 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.85701971; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W01O13-3H-iso-2 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.34719014; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo02W01O10-0H-iso-3 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.24033416; Eh | |||
| 19-Mar-2026 | /Nb Nb08O25-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -11.81124642; Eh |
Results 100481-100490 of 101944 (Search time: 0.609 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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