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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2017 | Cu-9-20 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -145.56921952; eV | |||
 | 8-May-2017 | Cu-9-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -153.74693722; eV | |||
 | 8-May-2017 | Cu-9-15 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -157.19705756; eV | |||
 | 8-May-2017 | Cu-9-21 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -144.64590843; eV | |||
 | 8-May-2017 | Cu-9-06 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -154.29679529; eV | |||
 | 8-May-2017 | Cu-9-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -153.45943708; eV | |||
 | 8-May-2017 | Cu-9-19 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -150.16916679; eV | |||
 | 8-May-2017 | Cu-9-18 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -149.63685408; eV | |||
 | 8-May-2017 | Cu-9-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -153.58107163; eV | |||
 | 8-May-2017 | Cu-9-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -157.78292066; eV |
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- 60 Big data
- 60 Bronsted Evans Polanyi
- 60 glycerol
- 60 Methanol
- 60 Poly-alcohols
- 60 Reaction network
- 60 Ruthenium
Program name
- 60 vasp