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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-3-29 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -322.23827346; eV | ||||
8-May-2017 | Pt-4-55 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -317.34655725; eV | ||||
8-May-2017 | Ru-33204 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -369.58277453; eV | ||||
8-May-2017 | Ru-34305 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -379.83217715; eV | ||||
8-May-2017 | Ru-34301 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -380.40740864; eV | ||||
8-May-2017 | Ru-33110 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -363.11544841; eV | ||||
8-May-2017 | Ru-34315 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -380.28669487; eV | ||||
8-May-2017 | Ru-34313 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -380.40150182; eV | ||||
8-May-2017 | Ru-34316 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -380.64333474; eV | ||||
8-May-2017 | Ru-33212 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -368.69591922; eV |
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- 1569 Bronsted Evans Polanyi
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- 1569 Methanol
- 1569 Palladium
- 1569 Platinum
- 1569 Poly-alcohols
- 1569 Reaction network
- 1569 Ruthenium
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