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[null,"1.","Record Nr.",null,"UNINA9910437820603321"]
[null,null,"Titolo",null,"Applications of Density Functional Theory to Biological and Bioinorganic Chemistry / / edited by Mihai V. Putz, D Michael P Mingos"]
[null,null,"Pubbl/distr/stampa",null,"Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2013"]
[null,null,"ISBN",null,"3-642-32750-8"]
[null,null,"Edizione",null,"[1st ed. 2013.]"]
[null,null,"Descrizione fisica",null,"1 online resource (XII, 236 p. 107 illus., 41 illus. in color.)"]
[null,null,"Collana",null,"Structure and Bonding, , 0081-5993 ; ; 150"]
[null,null,"Disciplina",null,"546"]
[null,null,"Soggetti",null,"Chemistry, Inorganic"]
[{"$nulls":4},"Inorganic Chemistry"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Includes bibliographical references and index."]
[null,null,"Nota di contenuto",null,"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."]
[null,null,null,"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."]