P-W-Wil-12 Theoretical Insights into the Effects of Hydrocarbon Structure on the Catalytic Hydrogenation of Unsaturated Ketones

Wednesday, June 5, 2013
Willis (Galt House Hotel)
Bing Hao and Matthew Neurock, University of Virginia, USA.
This study established the theoretical insights into the factors that control the reactivity and selectivity during the hydrogenations of unsaturated ketones, through systematically analyzing the effects of substitutions on the different model ketone molecules over transition metal surface by the density functional theoretical (DFT) calculations.

Extended Abstracts: