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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-5-35 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -165.55370374; eV | ||||
8-May-2017 | Cu-3-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -173.40754482; eV | ||||
8-May-2017 | Cu-3-09 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -173.70620291; eV | ||||
8-May-2017 | Pt-8-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -309.05381332; eV | ||||
8-May-2017 | Cu-4-13 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -169.41651751; eV | ||||
8-May-2017 | Cu-3-02 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -172.96751212; eV | ||||
8-May-2017 | Pt-8-04 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -309.05977715; eV | ||||
8-May-2017 | Cu-2-06 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -176.89233460; eV | ||||
8-May-2017 | Cu-6-14 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -153.64756788; eV | ||||
8-May-2017 | Pt-8-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -304.56968500; eV |
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- 429 Big data
- 429 copper
- 429 ethanol
- 429 glycerol
- 429 Palladium
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network