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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2023 | /pt_metal_electrode/first_vacancy_replenishment/at_O/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -604.90107158; eV | |||
| 6-Nov-2023 | /pt_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 | - | -609.24853860; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/o/4/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -73.57398802; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/oh/3/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -83.24955921; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/oh/2/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -72.88360528; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/oh/1/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -62.13301827; eV |
Results 101-106 of 106 (Search time: 0.001 seconds).