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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /Nb Nb16O49-8H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -23.17226446; Eh | |||
| 19-Mar-2026 | /Nb Nb06O19-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01691747; Eh | |||
| 19-Mar-2026 | /Nb Nb01O04-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.91474693; Eh | |||
| 19-Mar-2026 | /Nb Nb01O05-5H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -2.43911304; Eh | |||
| 19-Mar-2026 | /Nb Nb05O14-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -6.49207788; Eh | |||
| 19-Mar-2026 | /Nb Nb02O07-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.29641571; Eh | |||
| 19-Mar-2026 | /Nb Nb01O04-4H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.86228948; Eh | |||
| 19-Mar-2026 | /Nb Nb05O14-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -6.50709790; Eh | |||
| 19-Mar-2026 | /AsMo As01Mo09O34-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.11747538; Eh | |||
| 19-Mar-2026 | /AsMo As01Mo09O31-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.38966562; Eh |
Results 100491-100500 of 101944 (Search time: 0.047 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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