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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jun-2017 | Pt-1212 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex | Geometry optimization | - | - | -306.28871922; eV | |||
 | 21-Jun-2017 | Rh-2402 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -366.86454293; eV | |||
 | 21-Jun-2017 | Pt-1112 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex | Geometry optimization | - | - | -302.99004817; eV |
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- 2493 Methanol
- 2493 Palladium
- 1569 Big data
- 1569 Bronsted Evans Polanyi
- 1569 copper
- 1569 ethanol
- 1569 ethylene glycol
- 1569 glycerol
- 1569 Poly-alcohols
- 1569 Reaction network
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