Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Sep-2016 | O-t_13L_105 | Capdevila, Marçal | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -1287.49615937; eV | ||||
14-Sep-2016 | O-t_13L_001 | Capdevila, Marçal | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -1291.91867127; eV | ||||
14-Sep-2016 | O-t_13L_198 | Capdevila, Marçal | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -1280.26383946; eV | ||||
14-Sep-2016 | O-t_13L_136 | Capdevila, Marçal | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -1286.60596086; eV | ||||
14-Sep-2016 | CeO4-t_13L | Capdevila, Marçal | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -523.79343949; eV |
Results 1-5 of 5 (Search time: 0.001 seconds).
Discover
Program name
- 5 vasp