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Applications of density functional theory to biological and bioinorganic chemistry [electronic resource] / Mihai V. Putz, D. Michael P. Mingos, editors ; with contributions by M. Causá...[et al.].

Availability

Online

Other libraries

Language:
English.
Publication date:
2013
Imprint:
Berlin ; New York : Springer, c2013.
Format:
  • Book
  • 1 online resource.
Note:
Includes index.
Contents:
  • Recent Progress in Density Functional Methodology for Biomolecular Modeling / Dennis R. Salahub, Aurélien de la Lande
  • Density Functional Theory and Molecular Interactions: Dispersion Interactions / Eugene S. Kryachko
  • Redox Activation of Small Molecules at Biological Metal Centers / Radu Silaghi-Dumitrescu
  • The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic Chemistry / Mauro Causà, Maddalena D'Amore
  • Biological Activity and Toxicity: A Conceptual DFT Approach / Arindam Chakraborty, Sudip Pan
  • DFT Chemical Reactivity Driven by Biological Activity: Applications for the Toxicological Fate of Chlorinated PAHs / Mihai V. Putz, Ana-Maria Putz.
Contributor:
Putz, Mihai V.
Mingos, D. M. P., 1944-
Series:
Structure and bonding, 0081-5993 ; 150
Structure and bonding (Online) ; 150.
Subjects:
ISBN:
9783642327506
3642327508

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