Computational Modeling of Homogeneous Catalysis

• Corporate Author: SpringerLink (Online service)
• Other Authors: Maseras, Feliu (Editor), Lledós, Agustí (Editor)
• Format: Electronic eBook
• Language: English
• Published: Boston, MA : Springer US, 2002.
• Series: Catalysis by Metal Complexes, 25
• Subjects: Chemistry.; Chemoinformatics.; Inorganic chemistry.; Organic chemistry.; Organometallic chemistry.; Physical chemistry.; Catalysis.; Organometallic Chemistry.; Physical Chemistry.; Computer Applications in Chemistry.; Inorganic Chemistry.; Organic Chemistry.

Table of Contents:

• 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 N?N Triple Bond Activation by Transition Metal Complexes.