Applications of Density Functional Theory to Biological and Bioinorganic Chemistry
Applications of Density Functional Theory to Biological and Bioinorganic Chemistry [electronic resource] /
edited by Mihai V. Putz, D. Michael P. Mingos.
- XII, 236 p. 107 illus., 41 illus. in color. online resource.
- Structure and Bonding, 150 0081-5993 ; .
- Structure and Bonding, 150 .
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 Caus� 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.
9783642327506
10.1007/978-3-642-32750-6 doi
Chemistry.
Inorganic chemistry.
Chemistry.
Inorganic Chemistry.
QD146-197
546
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 Caus� 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.
9783642327506
10.1007/978-3-642-32750-6 doi
Chemistry.
Inorganic chemistry.
Chemistry.
Inorganic Chemistry.
QD146-197
546