Applications of Density Functional Theory to Biological and Bioinorganic Chemistry / / edited by Mihai V. Putz, D Michael P Mingos

• Pubblicazione: Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2013
• Edizione: 1st ed. 2013.
• Descrizione fisica: 1 online resource (XII, 236 p. 107 illus., 41 illus. in color.)
• Disciplina: 546
• Soggetto topico: Chemistry, Inorganic; Inorganic Chemistry
• Persona (resp. second.): PutzMihai V.; MingosD. M. P. <1944->
• Note generali: Includes bibliographical references and index.
• Nota di contenuto: Recent progress in density functional methodology for biomolecular modeling / Dennis R. Salahub, Aurélien de la Lande, Annick Goursot, Rui Zhang, and Yue Zhang -- 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, Carmine Garzillo, Franceso Gentile, and Andreas Savin -- Biological activity and toxicity: a conceptual DFT approach / Arindam Chakraborty, Sudip Pan, and Pratim K. Chattaraj -- DFT chemical reactivity driven by biological activity: applications for the toxicological fate of chlorinated PAHs / Mihai V. Putz, Ana-Maria Putz.
• Sommario/riassunto: 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.
• Titolo autorizzato: Applications of Density Functional Theory to Biological and Bioinorganic Chemistry
• ISBN: 3-642-32750-8
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910437820603321
• Lo trovi qui: Univ. Federico II
• Serie: Structure and Bonding, . 0081-5993 ; ; 150