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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-6-13 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -155.45441896; eV | |||
 | 8-May-2017 | Cu-2-09 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -177.62089774; eV | |||
 | 8-May-2017 | Cu-4-31 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -161.63489071; eV | |||
 | 8-May-2017 | Cu-3-28 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -165.78670046; eV | |||
 | 8-May-2017 | Cu-9-24 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -141.75061622; eV | |||
 | 8-May-2017 | Cu-3-31 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -166.89309864; eV | |||
 | 8-May-2017 | Cu-1-10 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -174.24676931; eV | |||
 | 8-May-2017 | Cu-4-25 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -168.75193205; eV | |||
 | 8-May-2017 | Cu-4-36 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -169.16735462; eV | |||
 | 8-May-2017 | Cu-7-04 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -158.42940820; eV |
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- 32 Big data
- 32 Bronsted Evans Polanyi
- 32 glycerol
- 32 Methanol
- 32 Poly-alcohols
- 32 Reaction network
- 32 Ruthenium
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- 32 vasp