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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 V01W11O39-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.00401686; Eh | |||
| 19-Mar-2026 | /VW V01W09O34-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.95556007; Eh | |||
| 19-Mar-2026 | /VW V01W05O19-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.19202745; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta01W08O31-1H-iso-18 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.31779607; Eh | |||
| 19-Mar-2026 | /Sand As02W18Nb03O69-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -30.02347358; Eh | |||
| 19-Mar-2026 | /PTaW P01Ta02W01O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.80588596; Eh | |||
| 19-Mar-2026 | /Sand P02Mo18V03O69-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -28.04664857; Eh | |||
| 19-Mar-2026 | /PTaW P00Ta01W01O08-2H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.73652007; Eh | |||
| 19-Mar-2026 | /PTaW P00Ta01W01O08-1H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.68994687; Eh | |||
| 19-Mar-2026 | /Sand Si02Mo18O62-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -25.73034709; Eh |
Results 101271-101280 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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