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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-34102 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -366.42767424; eV | ||||
8-May-2017 | Ru-33103 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -362.88299756; eV | ||||
8-May-2017 | Ru-33109 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -362.64215018; eV | ||||
8-May-2017 | Ru-31304 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -369.22672859; eV | ||||
8-May-2017 | Ru-35213 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -376.89688684; eV | ||||
8-May-2017 | Ru-34307 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -379.88911903; eV | ||||
8-May-2017 | Ru-30101 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -350.68875149; eV | ||||
8-May-2017 | Ru-34303 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -380.06818420; eV | ||||
8-May-2017 | Ru-33217 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -369.97858790; eV | ||||
8-May-2017 | Ru-35206 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -377.11496908; eV |
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- 1569 Bronsted Evans Polanyi
- 1569 ethanol
- 1569 ethylene glycol
- 1569 glycerol
- 1569 Palladium
- 1569 Platinum
- 1569 Reaction network
- 1569 Ruthenium
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- 1569 vasp
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