Computational Modeling of Homogeneous Catalysis Computational Methods for Homogeneous Catalysis Olefin Polymerization by Early Transition Metal Catalysts The Key Steps in Olefin Polymerization Catalyzed by Late Transition Metals Hydrogenation of Carbon Dioxide Catalytic Enantioselective Hydrogenation of Alkenes Isomerization of Double and Triple C C Bonds at a Metal Center Rhodium Diphosphine Hydroformylation Transition Metal Catalyzed Borations Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First Principles and Combined QM MM Molecular Dynamics Simulations Olefin Dihydroxylation The Dötz Reaction: A Chromium Fischer Carbene Mediated Benzannulation Reaction Mechanism of Olefin Epoxidation by Transition Metal Peroxo Compounds The NN Triple Bond Activation by Transition Metal Complexes.