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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 P00Mo00W01O04-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.79933071; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W07O39-2H-iso-20533 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.65913849; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W07O39-0H-iso-25643522 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.62421534; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W07O31-1H-iso-30840 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.99584776; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W07O31-0H-iso-34560 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.03059201; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo04W02O22-1H-iso-300 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.11376515; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo01W02O09-2H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.51762382; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo01W01O07-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -2.97887712; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo00W02O08-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.61709110; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo01W01O07-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.00833789; Eh |
Results 101151-101160 of 101944 (Search time: 0.052 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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