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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /PW P00W02O07-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.03018439; Eh | |||
| 19-Mar-2026 | /PW P01W02O11-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.78993210; Eh | |||
| 19-Mar-2026 | /PW P01W06O22-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.35731496; Eh | |||
| 19-Mar-2026 | /PW P01W09O34-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.74496212; Eh | |||
| 19-Mar-2026 | /PW P00W03O10-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.34281254; Eh | |||
| 19-Mar-2026 | /PW P01W11O39-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.89312063; Eh | |||
| 19-Mar-2026 | /PW P01W02O11-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.80625008; Eh | |||
| 19-Mar-2026 | /PW P00W06O21-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.23742045; Eh | |||
| 19-Mar-2026 | /PW P01W09O34-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.79480547; Eh | |||
| 19-Mar-2026 | /PW P01W03O13-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.44619266; Eh |
Results 100521-100530 of 101944 (Search time: 0.048 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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