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


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