Molecular Heterogeneous Catalysis ? A Conceptual and Computational Approach
A Computational Introduction
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74 371 Ft
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Product details:
- Edition number 1. Auflage
- Publisher Wiley VCH
- Date of Publication 3 February 2006
- ISBN 9783527296620
- Binding Paperback
- No. of pages488 pages
- Size 239x171x26 mm
- Weight 836 g
- Language English
- Illustrations 20 Tabellen, 280 SW-Abb. 0
Categories
Short description:
An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, covering all major catalytic systems. It develops a conceptual framework, with in-depth comparisons of enzyme catalysis, biomineralisation, organometallic and coordination chemistry.
MoreLong description:
An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.
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