Applications of Density Functional Theory to Biological and Bioinorganic Chemistry [electronic resource] / edited by Mihai V. Putz, D. Michael P. Mingos.

9783642327506

Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2013.

XII, 236 p. 70 illus., 48 illus. in color. digital.

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Dennis R. Salahub et al.          Recent Progress in Density Functional Methodology for Biomolecular ModelingEugene Serge Kryachko          Density Functional Theory and Molecular Interactions: Dispersion InteractionsRadu Silaghi-Dumitrescu        Redox Activation of Small Molecules at Biological Metal CentersMauro Causà et al.     The Bond Analysis Techniques (ELF and Maximum Probability Domains) to a Family of Models Relevant to Bio-Inorganic ChemistryArindam Chakraborty et al.        Biological Activity and Toxicity: A Conceptual DFT ApproachMihai V. Putz and Ana-Maria Putz     DFT Chemical Reactivity Driven by Biological Activity: Applications for the Toxicological Fate of Chlorinated PAHs

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March 01, 2013