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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2023 | /surface_coverage/ni/oh/4 4 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -91.74555850; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/2 2 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -74.10699471; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/1 1 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -70.16327471; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/6 6 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -88.79372199; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/4 4 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -81.87755073; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/5 5 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -85.42358881; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/3 3 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -78.01375017; eV | |||
| 6-Nov-2023 | /ag_metal_electrode/second_vacancy_replenishment/at_C at_C | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -207.01220353; eV | |||
| 6-Nov-2023 | /ag_metal_electrode/second_pcet/at_O at_O | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -203.71151732; eV | |||
| 6-Nov-2023 | /ag_metal_electrode/acetophenone_adsorption/at_O at_O | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -198.95512558; eV |
Results 21-30 of 114 (Search time: 0.001 seconds).