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-5-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -321.50460687; eV | ||||
8-May-2017 | Pd-9-22 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -254.65275029; eV | ||||
8-May-2017 | Pt-7-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -312.57141525; eV | ||||
8-May-2017 | Pt-4-53 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -311.05529498; eV | ||||
8-May-2017 | Pt-2421 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -328.13250877; eV | ||||
8-May-2017 | Pd-8-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -278.12787859; eV | ||||
8-May-2017 | Cu-3-11 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.93709584; eV | ||||
8-May-2017 | Cu-5-09 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.97568434; eV | ||||
8-May-2017 | Cu-4-29 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -168.98390242; eV | ||||
8-May-2017 | Pt-5-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -320.64568835; eV |
Results 1551-1560 of 1569 (Search time: 0.002 seconds).
Discover
Subject
- 1569 Big data
- 1569 Bronsted Evans Polanyi
- 1569 ethanol
- 1569 ethylene glycol
- 1569 glycerol
- 1569 Methanol
- 1569 Palladium
- 1569 Poly-alcohols
- 1569 Reaction network
- 1569 Ruthenium
- next >
Program name
- 1569 vasp
Calculation type