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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/cu/h/6 6 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -43.96637417; eV | |||
| 6-Nov-2023 | /surface_coverage/cu/o/1 1 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -27.93358693; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/7/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -75.62314982; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/5/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -69.72395402; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/8/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -77.78444438; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/6/frequency frequency | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Frequencies | DFT | - | -73.22579410; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/6 6 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -73.22097184; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/7 7 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -75.61820485; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/5 5 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -70.22972379; eV | |||
| 6-Nov-2023 | /surface_coverage/ni/h/4 4 | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -67.20268519; eV |
Results 141-150 of 481 (Search time: 0.001 seconds).