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Catalytic hydrogenation of unsaturated aldehydes on Pt(111): understanding the selectivity from first-principles calculations |
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| Authors: | Loffreda David Delbecq Françoise Vigné Fabienne Sautet Philippe |
| Affiliation: | Laboratoire de Chimie, UMR CNRS 5182, Ecole Normale Supérieure de Lyon, France. david.loffreda@ens-lyon.fr |
| Abstract: | |
| Keywords: | density functional calculations heterogeneous catalysis hydrogenation reaction mechanisms surface chemistry |
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