Computational Modeling of Homogeneous Catalysis

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From the reviews: "This book presents an updated account on the status of the computational modeling of homogenous catalysis at the beginning of the 21st century. … The reader will be able to use the book as a reference … . it should be of interest both to established researchers and to interested graduate students. … Indeed an impressive collection of papers that has the freshness and enthusiasm of international authorship." (Current Engineering Practice, Vol. 47, 2002 - 2003) Computational Methods for Homogeneous Catalysis....Pages 1-21 Olefin Polymerization by Early Transition Metal Catalysts....Pages 23-56 The Key Steps in Olefin Polymerization Catalyzed by Late Transition Metals....Pages 57-78 Hydrogenation of Carbon Dioxide....Pages 79-105 Catalytic Enantioselective Hydrogenation of Alkenes....Pages 107-135 Isomerization of Double and Triple C-C Bonds at a Metal Center....Pages 137-160 Rhodium Diphosphine Hydroformylation....Pages 161-187 Transition Metal Catalyzed Borations....Pages 189-212 Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Combined QM/MM Molecular Dynamics Simulations....Pages 213-252 Olefin Dihydroxylation....Pages 253-268 The Dötz Reaction: A Chromium Fischer Carbene-Mediated Benzannulation Reaction....Pages 269-287 Mechanism of Olefin Epoxidation by Transition Metal Peroxo Compounds....Pages 289-324 The N≡N Triple Bond Activation by Transition Metal Complexes....Pages 325-361