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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Oct-2023 | O2,_dir_Ag20_abs10 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Geometry optimization | DFT | - | -52.15806663; eV | ||||
24-Oct-2023 | O2,_dir_Ag20_abs1 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Geometry optimization | DFT | - | -52.03473626; eV | ||||
24-Oct-2023 | O2,_dir_Ag20_abs3 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Geometry optimization | DFT | - | -52.03964306; eV |
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- 63 Ag
- 63 AgO
- 63 DFT
- 63 oxygen adsorption
- 33 nanoparticles
- 33 oxidation
- 33 Silver
- 33 transition metals
- 30 metal nanoparticles
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- 63 vasp
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- 63 DFT