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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsMoW As01Mo01W08O31-1H-iso-18 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.88719589; Eh | |||
| 19-Mar-2026 | /AsMoW As02Mo03W02O23-0H-iso-50 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.34067685; Eh | |||
| 19-Mar-2026 | /VW V00W06O21-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.23742045; Eh | |||
| 19-Mar-2026 | /VW V00W02O07-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.08373034; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W11O40-2H-iso-439084800 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.16795304; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W07O31-0H-iso-34560 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.48653263; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta03W06O34-1H-iso-51 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -15.09396088; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W03O19-0H-iso-3 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.37886519; Eh | |||
| 19-Mar-2026 | /PTaW P00Ta01W02O10-0H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.49577215; Eh | |||
| 19-Mar-2026 | /PTaW P00Ta01W02O09-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.91211413; Eh |
Results 101261-101270 of 101944 (Search time: 0.058 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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