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 | Pt-6-12 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -310.94126036; eV | ||||
8-May-2017 | Ru-2-15 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -360.47904795; eV | ||||
8-May-2017 | Ru-4-50 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -346.66385701; eV | ||||
8-May-2017 | Pt-2-02 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -332.38366301; eV | ||||
8-May-2017 | Ru-5-18 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -349.36320223; eV | ||||
8-May-2017 | Ru-2-20 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -353.89271135; eV | ||||
8-May-2017 | Ru-35101 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -370.37061916; eV | ||||
8-May-2017 | Pt-2-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -332.24887941; eV | ||||
8-May-2017 | Pt-5-14 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -313.94615740; eV | ||||
8-May-2017 | Ru-4-47 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -353.18674324; eV |
Results 61-70 of 1569 (Search time: 0.002 seconds).
Discover
Subject
- 1569 Big data
- 1569 Bronsted Evans Polanyi
- 1569 ethanol
- 1569 glycerol
- 1569 Methanol
- 1569 Palladium
- 1569 Platinum
- 1569 Poly-alcohols
- 1569 Reaction network
- 1569 Ruthenium
- next >
Program name
- 1569 vasp
Calculation type