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1. Full Text Mechanistic Insights into the Iridium‐Catalyzed Hydrogenations of α,β‐Unsaturated Ketones
by Engel, Julien and Mersmann, Stefanie and Norrby, Per‐Ola and Bolm, Carsten and Institutionen för kemi och molekylärbiologi and Naturvetenskapliga fakulteten and Faculty of Sciences and Göteborgs universitet and Gothenburg University and Department of Chemistry and Molecular Biology
ChemCatChem, ISSN 1867-3880, 10/2016, Volume 8, Issue 19, pp. 3099 - 3106
iridium | reaction mechanisms | density functional calculations | alkenes | hydrogenation | polarizable continuum model | potentials | transition-metal atoms | ab-initio | enantioselective hydrogenation | 3rd-row atoms | Chemical Sciences | gaussian-basis sets | Chemistry | Kemi | anisotropic dielectrics | asymmetric | effective core | molecular-orbital methods
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