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)-1x6-2CuC2O4-2-E-p02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -440.34081183; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(711)-1x6-2CuC2O4-2-E-00 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -440.25095462; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-Cu2CO-E-n02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -572.00016444; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-Cu2OH-E-n02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -561.14218041; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuOH-E-n03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -566.86531461; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CO-E-n02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -530.39253731; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-n02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -614.47667333; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuOCHO-E-n02 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -567.72181241; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(111)-6x6-CuOCHO-E-n03 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -568.09321527; eV | |||
 | 14-Feb-2022 | /intermediates-electric-field Cu(711)-1x6-CO-E-00 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -353.79932519; eV |
Results 951-960 of 1745 (Search time: 0.003 seconds).
Discover
Subject
Method
- 1745 DFT