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Molecular Heterogeneous Catalysis

Molecular Heterogeneous Catalysis

A Conceptual and Computational Approach

Matthew Neurock, Rutger A. Van Santen

Wiley-VCH
Publication date : 2009-06-10

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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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About the book

Author

Matthew Neurock , Rutger A. van Santen

Imprint

Wiley-VCH

Collection

n.c

Publication date

2009-06-10

Pages

488 pages

Print ISBN

9783527296620

Language

English

Ebook informations

EAN PDF

9783527608348

Price

£155.03

Copy count 0

Print count 488

File size 37714 Ko

Informations accessibility

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About author(s)

Matthew Neurock

Rutger A. van Santen

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