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