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Duarte, Fernanda

Theory and Applications of the Empirical Valence Bond Approach: From Physical Chemistry to Chemical Biology

Duarte, Fernanda - Theory and Applications of the Empirical Valence Bond Approach: From Physical Chemistry to Chemical Biology, ebook

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ISBN: 9781119245452
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A comprehensive overview of current empirical valence bond (EVB) theory and applications, one of the most powerful tools for studying chemical processes in the condensed phase and in enzymes.

  • Discusses the application of EVB models to a broad range of molecular systems of chemical and biological interest, including reaction dynamics, design of artificial catalysts, and the study of complex biological problems
  • Edited by a rising star in the field of computational enzymology
  • Foreword by Nobel laureate Arieh Warshel, who first developed the EVB approach

Keywords:

Computational modelling; Empirical Valence Bond (EVB) approach; Valence Bond Theory; Multiscale Simulations; Reactive Molecular Dynamics;QM/MM; Free Energy Calculations; Enzyme Catalysis;Computational Biochemistry 

, Computational Chemistry & Molecular Modeling
Editor
 
 
Publisher
John Wiley and Sons, Inc.
Publication year
2016
Language
en
Edition
1
Page amount
264 pages
Category
Natural Sciences
Format
Ebook
eISBN (ePUB)
9781119245452
Printed ISBN
9781119245391

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