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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-4-32 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -162.64866499; eV | ||||
8-May-2017 | Cu-4-35 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -162.20827667; eV | ||||
8-May-2017 | Cu-4-24 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -162.24219132; eV | ||||
8-May-2017 | Cu-6-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -153.38856563; eV | ||||
8-May-2017 | Cu-4-19 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -161.48567603; eV | ||||
8-May-2017 | Cu-7-02 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -149.51794141; eV | ||||
8-May-2017 | Cu-4-18 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -162.31486542; eV | ||||
8-May-2017 | Pt-2-21 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -318.25252447; eV | ||||
8-May-2017 | Pt-8-02 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -292.87972489; eV | ||||
8-May-2017 | Cu-5-27 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -158.85562130; eV |
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- 429 Big data
- 429 copper
- 429 ethanol
- 429 glycerol
- 429 Palladium
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network
- 429 Ruthenium