论文信息 - Applications of Density Functional Theory to Biological and Bioinorganic Chemistry

Applications of Density Functional Theory to Biological and Bioinorganic Chemistry

From the Contents: Recent Progress in Density Functional Methodology for Biomolecular Modeling - Density Functional Theory and Molecular Interactions: Dispersion Interactions - Redox Activation of Small Molecules at Biological Metal Centers - The Bond Analysis Techniques (ELF and Maximum Probability Domains) to A Family of Models Relevant to Bio-Inorganic Chemistry - Biological Activity and Toxicity: A Conceptual DFT Approach - DFT Chemical Reactivity Driven by Biological Activity: Applications for the Toxicological Fate of Chlorinated PAHs

Mihai V. Putz | D. Mingos | M. Putz | D. M. P. Mingos

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