Applications of Density Functional Theory to Biological and Bioinorganic Chemistry [electronic resource] /
Putz, Mihai V.editor.
Mingos, D Michael P.editor.
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.
Includes bibliographical references and index.
Recent progress in density functional methodology for biomolecular modeling / Dennis R. Salahub, Aurélien de la Lande, Annick Goursot, Rui Zhang, and Yue Zhang -- 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, Carmine Garzillo, Franceso Gentile, and Andreas Savin -- Biological activity and toxicity: a conceptual DFT approach / Arindam Chakraborty, Sudip Pan, and Pratim K. Chattaraj -- DFT chemical reactivity driven by biological activity: applications for the toxicological fate of chlorinated PAHs / Mihai V. Putz, Ana-Maria Putz.
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.
Inorganic chemistry.
Inorganic Chemistry.