Computational Modeling of Homogeneous Catalysis
This work presents recent results on an array of catalytic processes. Most chapters are authored by the researchers who have performed the calculations. Of interest to experimental chemists, the book illustrates the importance of computational modeling in homogeneous catalysis by providing reviews of its application to a variety of reactions of industrial interest, including olefin polymerization, hydrogenation, hydroformylation, dihydroxylation, and benzannulation. The editors are affiliated with the Department of Physical Chemistry, Universitat Autònoma de Barcelona, Spain. Annotation (c)2003 Book News, Inc., Portland, OR
1101306002
Computational Modeling of Homogeneous Catalysis
This work presents recent results on an array of catalytic processes. Most chapters are authored by the researchers who have performed the calculations. Of interest to experimental chemists, the book illustrates the importance of computational modeling in homogeneous catalysis by providing reviews of its application to a variety of reactions of industrial interest, including olefin polymerization, hydrogenation, hydroformylation, dihydroxylation, and benzannulation. The editors are affiliated with the Department of Physical Chemistry, Universitat Autònoma de Barcelona, Spain. Annotation (c)2003 Book News, Inc., Portland, OR
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Computational Modeling of Homogeneous Catalysis

Computational Modeling of Homogeneous Catalysis

Computational Modeling of Homogeneous Catalysis

Computational Modeling of Homogeneous Catalysis

Overview

This work presents recent results on an array of catalytic processes. Most chapters are authored by the researchers who have performed the calculations. Of interest to experimental chemists, the book illustrates the importance of computational modeling in homogeneous catalysis by providing reviews of its application to a variety of reactions of industrial interest, including olefin polymerization, hydrogenation, hydroformylation, dihydroxylation, and benzannulation. The editors are affiliated with the Department of Physical Chemistry, Universitat Autònoma de Barcelona, Spain. Annotation (c)2003 Book News, Inc., Portland, OR

Product Details

ISBN-13: 9781402009334
Publisher: Springer US
Publication date: 10/31/2002
Series: Catalysis by Metal Complexes , #25
Edition description: 2002
Pages: 368
Product dimensions: 6.14(w) x 9.21(h) x 0.03(d)

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.
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