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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-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 | ||||
8-May-2017 | Cu-2-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -176.81222712; eV | ||||
8-May-2017 | Cu-3-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -172.35027855; eV | ||||
8-May-2017 | Cu-5-37 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -158.18727782; eV | ||||
8-May-2017 | Cu-5-14 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -156.73444713; eV | ||||
8-May-2017 | Ru-4-13 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -359.91530075; eV |
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Subject
- 32 Big data
- 32 ethanol
- 32 glycerol
- 32 Methanol
- 32 Palladium
- 32 Platinum
- 32 Poly-alcohols
- 32 Reaction network
- 32 Ruthenium
Program name
- 32 vasp