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

Contributor(s): Putz, Mihai V [editor.] | Mingos, D. Michael P [editor.] | SpringerLink (Online service).
Material type: materialTypeLabelBookSeries: Structure and Bonding: 150Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2013.Description: XII, 236 p. 107 illus., 41 illus. in color. online resource.Content type: text Media type: computer Carrier type: online resourceISBN: 9783642327506.Subject(s): Chemistry | Inorganic chemistry | Chemistry | Inorganic ChemistryDDC classification: 546 Online resources: Click here to access online In: Springer eBooksSummary: 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.
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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.

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