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What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?

Authors

  • J.-P. Piquemal,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
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  • J. Pilmé,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
    3. Université de Lyon, Université Lyon 1, Faculté de pharmacie, F-69373 Lyon, Cedex 08, France
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  • O. Parisel,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
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  • H. Gérard,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
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  • I. Fourré,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
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  • J. Bergès,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
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  • C. Gourlaouen,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
    Current affiliation:
    1. Institute of Chemical Research of Catalonia (ICIQ), Av. Països Catalans 16, E. 43007 Tarragona, Spain
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  • A. De La Lande,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
    Current affiliation:
    1. Institute of Biocomplexity and Informatics, Department of Chemistry, University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4
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  • M.-C. Van Severen,

    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
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  • B. Silvi

    Corresponding author
    1. UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
    2. CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005, Paris, France
    • UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courrier 137, 4 Place Jussieu, F-75005 Paris, France
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Abstract

The topological analysis of the electron localization function (ELF) provides a convenient mathematical framework enabling an unambiguous characterization of bonds and more particularly in terms of bond types. In this contribution, we present an overview of the applications of this approach to biological and biomimetic systems. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008

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