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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-3-06 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.63771003; eV | ||||
8-May-2017 | Cu-4-14 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.49287510; eV | ||||
8-May-2017 | Cu-3-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.93684318; eV | ||||
8-May-2017 | Cu-4-04 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.01643071; eV | ||||
8-May-2017 | Cu-3-04 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.95834836; eV | ||||
8-May-2017 | Cu-4-37 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -170.12535433; eV | ||||
8-May-2017 | Cu-4-38 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -170.02311114; eV | ||||
8-May-2017 | Cu-4-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -160.67975001; eV | ||||
8-May-2017 | Cu-3-18 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -173.23081167; eV | ||||
8-May-2017 | Pd-8-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -263.18819689; eV |
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- 429 Big data
- 429 ethanol
- 429 glycerol
- 429 Methanol
- 429 Palladium
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network
- 429 Ruthenium