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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 P01Mo05O19-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.75095078; Eh | |||
| 19-Mar-2026 | /PMo P01Mo06O22-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.00695467; Eh | |||
| 19-Mar-2026 | /PMo P00Mo03O11-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.73054485; Eh | |||
| 19-Mar-2026 | /PMo P02Mo05O23-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.54073471; Eh | |||
| 19-Mar-2026 | /PMo P00Mo03O10-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.12861861; Eh | |||
| 19-Mar-2026 | /PMo P00Mo02O08-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.47339964; Eh | |||
| 19-Mar-2026 | /PMo P01Mo00O04-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.70205428; Eh | |||
| 19-Mar-2026 | /PMo P00Mo01O04-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.74570419; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W04O22-1H-iso-13 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.22147226; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo01W08O34-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.68265670; Eh |
Results 100451-100460 of 101953 (Search time: 0.059 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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