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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-1112 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -337.24558977; eV | ||||
8-May-2017 | Ru-0101 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -321.15286834; eV | ||||
8-May-2017 | Ru-1201 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -333.86432706; eV | ||||
8-May-2017 | Ru-9-23 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -327.46882966; eV | ||||
8-May-2017 | Ru-9-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -340.30050688; eV | ||||
8-May-2017 | Ru-9-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -343.39490323; eV | ||||
8-May-2017 | Ru-9-21 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -336.07934363; eV | ||||
8-May-2017 | Ru-9-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -347.33939740; eV | ||||
8-May-2017 | Ru-9-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -342.91832307; eV | ||||
8-May-2017 | Ru-9-01 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -347.14860164; eV |
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Subject
- 60 Big data
- 60 Bronsted Evans Polanyi
- 60 glycerol
- 60 Methanol
- 60 Palladium
- 60 Platinum
- 60 Poly-alcohols
- 60 Ruthenium
Program name
- 60 vasp