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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-33210 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -369.75118753; eV | ||||
8-May-2017 | Ru-32103 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -358.98827674; eV | ||||
8-May-2017 | Ru-35212 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -376.94419977; eV | ||||
8-May-2017 | Ru-32003 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -351.68573593; eV | ||||
8-May-2017 | Ru-35214 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -377.27422384; eV | ||||
8-May-2017 | Ru-30202 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -357.69253338; eV | ||||
8-May-2017 | Ru-31103 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -354.02924580; eV | ||||
8-May-2017 | Ru-35216 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -377.04703817; eV | ||||
8-May-2017 | Ru-35209 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -377.19753236; eV | ||||
8-May-2017 | Ru-34002 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -359.72257998; eV |
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- 1569 Big data
- 1569 Bronsted Evans Polanyi
- 1569 ethanol
- 1569 glycerol
- 1569 Methanol
- 1569 Palladium
- 1569 Poly-alcohols
- 1569 Reaction network
- 1569 Ruthenium
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- 1569 vasp
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