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(711)-1x6-Clean-E-n03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -338.36062146; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CO-E-n01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -545.83949536; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CO-E-00 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -545.80240916; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CO-E-p01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -545.87391553; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CO-E-p02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -546.05396775; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-C2O4-E-n03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -559.90117032; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CO-E-p03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -546.34255317; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-C2O4-E-n02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -559.70038981; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(711)-1x6-2OH-E-n03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -360.25570956; eV | ||||
14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-C2O4-E-n01 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -559.60995914; eV |
Results 1441-1450 of 1511 (Search time: 0.003 seconds).
Discover
Subject
Method
- 1511 DFT