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Title 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]
Published Berlin ; New York : Springer, [2013]

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Description 1 online resource
Series Structure and bonding, 0081-5993 ; 150
Structure and bonding (Online) ; 150.
Contents 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
Analysis Chemistry
Inorganic Chemistry
Bibliography Includes bibliographical references and index
Notes English
Subject Density functionals.
Biochemistry.
Mathematical models.
Chemistry.
Life sciences.
Physical sciences.
Molecular structure.
Chemical models.
Bioinorganic chemistry.
Chemistry, Inorganic
Biochemistry
Chemical Phenomena
Models, Theoretical
Biochemical Phenomena
Chemistry
Phenomena and Processes
Biological Science Disciplines
Investigative Techniques
Analytical, Diagnostic and Therapeutic Techniques and Equipment
Natural Science Disciplines
Disciplines and Occupations
Molecular Structure
Models, Chemical
Chemistry, Bioinorganic
inorganic chemistry.
biochemistry.
mathematical models.
chemistry.
biological sciences.
physical sciences.
molecular structure.
Chimie.
Science des matériaux.
Physical sciences
Molecular structure
Mathematical models
Life sciences
Chemistry
Chemical models
Bioinorganic chemistry
Biochemistry
Density functionals
Form Electronic book
Author Putz, Mihai V.
Mingos, D. M. P., 1944-
Causá, M
ISBN 9783642327506
3642327508
3642327494
9783642327490