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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 8-May-2017 | gas-2202 | García Muelas, Rodrigo | vasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complex | Geometry optimization | - | - | -22.95710311; eV | |||
![]() | 8-May-2017 | Cu-2421 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -172.34971196; eV | |||
![]() | 8-May-2017 | Cu-2412 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -163.53748906; eV | |||
![]() | 8-May-2017 | Cu-0021 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -139.36967512; eV | |||
![]() | 8-May-2017 | Cu-1312 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -154.62122465; eV | |||
![]() | 8-May-2017 | Pd-3-34 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -286.49244628; eV | |||
![]() | 8-May-2017 | Pd-2-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -284.19206124; eV | |||
![]() | 8-May-2017 | Pd-4-54 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -276.87563493; eV | |||
![]() | 8-May-2017 | Pd-5-19 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -272.24468769; eV | |||
![]() | 8-May-2017 | Pd-4-46 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -275.74251169; eV |
Results 61-70 of 1569 (Search time: 0.002 seconds).
Discover
Subject
- 1569 Big data
- 1569 copper
- 1569 ethanol
- 1569 Platinum
- 1569 Poly-alcohols
- 1569 Reaction network