Computational Modeling of Homogeneous Catalysis

Contributors. Acknowledgements. Preface. Computational Methods for Homogeneous Catalysis; F. Maseras, A. Lledós. Olefin Polymerization by Early Transition Metal Catalysts; L. Cavallo. The Key Steps in Olefin Polymerization Catalyzed by Late Transition Metals. A. Michalak, T. Ziegler. Hydrogenation of Carbon Dioxide; S. Sakaki, Y. Musashi. Catalytic Enantioselective Hydrogenation of Alkenes; S. Feldgus, C.R. Landis. Isomerization of Double and Triple C-C Bonds at a Metal Center; E. Clot, O. Eisenstein. Rhodium Diphosphine Hydroformylation; J.J. Carbó, F. Maseras, C. Bo. Transition Metal Catalyzed Borations; Xin Huang, Zhengyang Lin. Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Combined QM/MM Molecular Dynamics Simulations; A. Magistrato, A. Togni, U. Röthlisberger, T.K. Woo. Olefin Dihydroxylation; T. Strassner. The Dötz Reaction: A Chromium Fischer Carbene-Mediated Benzannulation Reaction; M. Solà, M. Duran, M. Torrent. Mechanism of Olefin Epoxidation by Transition Metal Peroxo Compounds; N. Rösch, C. Di Valentin, I.V. Yudanov. The N=N Triple Bond Activation by Transition Metal Complexes; D.G. Musaev, H. Basch, K. Morokuma. Index.