Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuHCO3-E-p01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -574.72887009; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuOCHO-E-p03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -567.78712376; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuHCO3-E-00 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -574.69307387; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-n01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.27969474; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-00 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.17475093; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuHCO3-E-p03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -575.16317312; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuHCO3-E-p02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -574.88616763; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-p01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.17952366; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-p03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.56969361; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-p02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.30490655; eV |
Results 1411-1420 of 1511 (Search time: 0.003 seconds).
Discover
Subject
Method
- 1511 DFT