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Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory / Edition 1
     

Theoretical Aspects of Homogeneous Catalysis: Applications of Ab Initio Molecular Orbital Theory / Edition 1

by Piet W.N.M. van Leeuwen
 

ISBN-10: 0792331079

ISBN-13: 9780792331070

Pub. Date: 04/30/1995

Publisher: Springer Netherlands

This publication is the first to present the quantitative application of quantum chemistry to organometallic reactions. Great progress has been made in recent years in the calculation of transition states of organometallic conversions in both homo and heterogeneous catalysis. This volume, which contains seven contributions by leading scientists, deals with key

Overview

This publication is the first to present the quantitative application of quantum chemistry to organometallic reactions. Great progress has been made in recent years in the calculation of transition states of organometallic conversions in both homo and heterogeneous catalysis. This volume, which contains seven contributions by leading scientists, deals with key reactions of homogeneous catalysis including oxidative addition, migratory insertions, 2+2 additions, the Wacker reaction, and epoxidation. The book provides experimental chemists with an up-to-date overview of the state of the art in this field, and will stimulate an adjustment of views previously based on semiempirical calculations.
For researchers and advanced graduate students whose work involves organometallics and catalysis.

Product Details

ISBN-13:
9780792331070
Publisher:
Springer Netherlands
Publication date:
04/30/1995
Series:
Catalysis by Metal Complexes Series , #18
Edition description:
1995
Pages:
210
Product dimensions:
0.63(w) x 6.14(h) x 9.21(d)

Table of Contents

Preface; P.W.N.M. van Leeuwen. 1. An Introduction to Quantum Chemical Organometallic Chemistry; P.H.M. Budzelaar, J.H. van Lenthe. 2. Oxidative Addition Reactions; M.R.A. Blomberg, P.E.M. Siegbahn. 3. Alkene Migratory Insertions and C-C Bond Formations; N. Koga, K. Morokuma. 4. Carbonyl Migratory Insertions; N. Koga, K. Morokuma. 5. A Density Functional Study on the [2s+2s] Reactions in Organometallic Chemistry; E. Folga, T. Woo, T. Ziegler. 6. Wacker Reactions; A. Dedieu. 7. Epoxidation of Ethene Catalysed by Manganese(III)-chloro-porphyrin; R. Zwaans, J.H. van Lenthe, D.H.W. den Boer.

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