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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /VW V01W05O19-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.22566356; Eh | |||
| 19-Mar-2026 | /VW V01W00O04-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.85677789; Eh | |||
| 19-Mar-2026 | /VW V00W03O09-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.72669550; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W07O31-3H-iso-3601 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.41714934; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta03W06O31-3H-iso-25203 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.62822717; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W07O34-2H-iso-3600 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -15.07467561; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W10O39-1H-iso-36288000 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.04676969; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W10O39-0H-iso-3265920 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.01745938; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W08O31-2H-iso-600 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.24628510; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W07O34-0H-iso-480 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.93093459; Eh |
Results 101911-101920 of 101944 (Search time: 0.064 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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