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-Cu2OH-E-p03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -561.79929471; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-Cu2OH-E-p02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -561.28196237; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-1-E-p02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.44743626; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-1-E-p03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.70458053; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuCO-E-n03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -572.47571728; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-n01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -614.13088383; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-p01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.80028451; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-00 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.89508433; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-p02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -613.83494067; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-p03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -614.00379418; eV |
Results 1431-1440 of 1511 (Search time: 0.003 seconds).
Discover
Subject
Method
- 1511 DFT