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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2017 | Pt-8-01 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -303.24775087; eV | ||||
8-May-2017 | Pd-9-23 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -250.70424017; eV | ||||
8-May-2017 | Ru-5-14 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -348.89724500; eV | ||||
8-May-2017 | Pt-6-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -308.82874959; eV | ||||
8-May-2017 | Pd-8-02 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -251.65788968; eV | ||||
8-May-2017 | Pd-8-01 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -261.96421058; eV | ||||
8-May-2017 | Cu-5-39 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -159.20278227; eV | ||||
8-May-2017 | Pd-9-24 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -254.83958621; eV | ||||
8-May-2017 | Cu-5-38 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -158.44145101; eV | ||||
8-May-2017 | Cu-5-30 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.10847443; eV |
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- 429 Big data
- 429 Bronsted Evans Polanyi
- 429 copper
- 429 ethanol
- 429 Methanol
- 429 Palladium
- 429 Reaction network
- 429 Ruthenium
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- 429 vasp