Computational Modeling of Homogeneous Catalysis (Catalysis by Metal Complexes)

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