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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2017 | Ru-3-29 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.60771809; eV | ||||
8-May-2017 | Ru-4-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -352.50336889; 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 | 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-5-26 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -349.10594084; eV | ||||
8-May-2017 | Ru-3-46 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -357.30162418; eV | ||||
8-May-2017 | Ru-4-35 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -352.79110394; eV | ||||
8-May-2017 | Ru-3-37 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.52061611; eV |
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- 429 Bronsted Evans Polanyi
- 429 copper
- 429 glycerol
- 429 Palladium
- 429 Platinum
- 429 Reaction network
- 429 Ruthenium
Program name
- 429 vasp