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Computational Modeling of Homogeneous Catalysis

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Cover of 'Computational Modeling of Homogeneous Catalysis'

Table of Contents

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    Book Overview
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    Chapter 1 Computational Methods for Homogeneous Catalysis
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    Chapter 2 Olefin Polymerization by Early Transition Metal Catalysts
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    Chapter 3 The Key Steps in Olefin Polymerization Catalyzed by Late Transition Metals
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    Chapter 4 Hydrogenation of Carbon Dioxide
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    Chapter 5 Catalytic Enantioselective Hydrogenation of Alkenes
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    Chapter 6 Isomerization of Double and Triple C-C Bonds at a Metal Center
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    Chapter 7 Rhodium Diphosphine Hydroformylation
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    Chapter 8 Transition Metal Catalyzed Borations
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    Chapter 9 Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Combined QM/MM Molecular Dynamics Simulations
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    Chapter 10 Olefin Dihydroxylation
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    Chapter 11 The Dötz Reaction: A Chromium Fischer Carbene-Mediated Benzannulation Reaction
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    Chapter 12 Mechanism of Olefin Epoxidation by Transition Metal Peroxo Compounds
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    Chapter 13 The N≡N Triple Bond Activation by Transition Metal Complexes
Attention for Chapter 9: Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Combined QM/MM Molecular Dynamics Simulations
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