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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Oct-2023 | 2oxy,_dir_Ag140_2oxy_4fold_comb2 | Bruix, Albert | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -357.57381740; eV | |||
 | 24-Oct-2023 | 1oxy,_dir_Ag140_GCN6_32 | Bruix, Albert | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -351.00262888; eV | |||
 | 24-Oct-2023 | 1oxy,_dir_Ag140_GCN4_45 | Bruix, Albert | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -351.22643157; eV | |||
 | 24-Oct-2023 | 1oxy,_dir_Ag140_GCN4_08 | Bruix, Albert | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Geometry optimization | DFT | - | -351.63160526; eV |
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- 34 Ag
- 34 AgO
- 34 density functional theory
- 34 DFT
- 34 Nanoparticles
- 34 oxygen adsorption
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- 34 vasp
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- 34 DFT