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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/pt/h/5/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -85.42228654; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/6/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -88.79236558; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/3/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -78.01317973; eV | |||
| 6-Nov-2023 | /surface_coverage/pt/h/4/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -81.87552935; eV | |||
| 6-Nov-2023 | /ag_metal_electrode/second_vacancy_replenishment/at_C/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -207.01220600; eV | |||
| 6-Nov-2023 | /ag_metal_electrode/acetophenone_adsorption/at_O/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -198.95512425; eV | |||
| 6-Nov-2023 | /ag_metal_electrode/transition_state/at_C/three_waters frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -242.47954174; eV | |||
| 6-Nov-2023 | /ag_metal_electrode/transition_state/at_C/one_water frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -212.04861219; eV | |||
| 6-Nov-2023 | /au_metal_electrode/second_vacancy_replenishment/at_C/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -280.29359778; eV | |||
| 6-Nov-2023 | /au_metal_electrode/second_pcet/at_C/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -276.94126857; eV |
Results 21-30 of 106 (Search time: 0.001 seconds).