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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jun-2017 | Zn-2621 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -107.69598237; eV | |||
 | 21-Jun-2017 | Zn-2411 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -92.96610604; eV | |||
 | 21-Jun-2017 | Zn-2315 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -88.50722468; 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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