Applications of Density Functional Theory to Biological and Bioinorganic Chemistry (eBook, PDF)

Redaktion: Putz, Mihai V.; Mingos, D Michael P

• Format: PDF

Produktbeschreibung

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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Produktdetails

• Verlag: Springer Berlin Heidelberg
• Seitenzahl: 236
• Erscheinungstermin: 1. Februar 2013
• Englisch
• ISBN-13: 9783642327506
• Artikelnr.: 43800397

Inhaltsangabe

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