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Applications of Density Functional Theory to Biological and Bioinorganic Chemistry

  • Mihai V. Putz
  • D. Michael P. Mingos

Part of the Structure and Bonding book series (STRUCTURE, volume 150)

Table of contents

  1. Front Matter
    Pages i-xii
  2. Dennis R. Salahub, Aurélien de la Lande, Annick Goursot, Rui Zhang, Yue Zhang
    Pages 1-64
  3. Mauro Causà, Maddalena D’Amore, Carmine Garzillo, Francesco Gentile, Andreas Savin
    Pages 119-141
  4. Arindam Chakraborty, Sudip Pan, Pratim K. Chattaraj
    Pages 143-179
  5. Back Matter
    Pages 233-236

About this book

Introduction

Dennis R. Salahub et al.          Recent Progress in Density Functional Methodology for Biomolecular Modeling

Eugene Serge Kryachko          Density Functional Theory and Molecular Interactions: Dispersion Interactions

Radu Silaghi-Dumitrescu        Redox Activation of Small Molecules at Biological Metal Centers

Mauro Causà et al.     The Bond Analysis Techniques (ELF and Maximum Probability Domains) to a Family of Models Relevant to Bio-Inorganic Chemistry

Arindam Chakraborty et al.        Biological Activity and Toxicity: A Conceptual DFT Approach

Mihai V. Putz and Ana-Maria Putz     DFT Chemical Reactivity Driven by Biological Activity: Applications for the Toxicological Fate of Chlorinated PAHs

Editors and affiliations

  • Mihai V. Putz
    • 1
  • D. Michael P. Mingos
    • 2
  1. 1., Structural and Computational Physical-ChWest University of TimisoaraTimis¸oaraRomania
  2. 2., Inorganic Chemistry LaboratoryUniversity of OxfordOxfordUnited Kingdom

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-32750-6
  • Copyright Information Springer-Verlag Berlin Heidelberg 2013
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-3-642-32749-0
  • Online ISBN 978-3-642-32750-6
  • Series Print ISSN 0081-5993
  • Series Online ISSN 1616-8550
  • Buy this book on publisher's site