LEADER 03491nam 22005175 450 001 9910437820603321 005 20251116210537.0 010 $a3-642-32750-8 024 7 $a10.1007/978-3-642-32750-6 035 $a(CKB)3360000000455781 035 $a(SSID)ssj0000878464 035 $a(PQKBManifestationID)11548276 035 $a(PQKBTitleCode)TC0000878464 035 $a(PQKBWorkID)10835998 035 $a(PQKB)10984498 035 $a(DE-He213)978-3-642-32750-6 035 $a(MiAaPQ)EBC3107091 035 $a(PPN)168322633 035 $a(EXLCZ)993360000000455781 100 $a20130202d2013 u| 0 101 0 $aeng 135 $aurnn#008mamaa 181 $ctxt 182 $cc 183 $acr 200 10$aApplications of Density Functional Theory to Biological and Bioinorganic Chemistry /$fedited by Mihai V. Putz, D Michael P Mingos 205 $a1st ed. 2013. 210 1$aBerlin, Heidelberg :$cSpringer Berlin Heidelberg :$cImprint: Springer,$d2013. 215 $a1 online resource (XII, 236 p. 107 illus., 41 illus. in color.) 225 1 $aStructure and Bonding,$x0081-5993 ;$v150 300 $aIncludes bibliographical references and index. 311 08$a3-642-32749-4 327 $aRecent progress in density functional methodology for biomolecular modeling / Dennis R. Salahub, Aure?lien 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 Causa?, 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. 330 $aDennis R. Salahub et al.          Recent Progress in Density Functional Methodology for Biomolecular Modeling Eugene Serge Kryachko          Density Functional Theory and Molecular Interactions: Dispersion Interactions Radu Silaghi-Dumitrescu        Redox Activation of Small Molecules at Biological Metal Centers Mauro Causą et al.     The Bond Analysis Techniques (ELF and Maximum Probability Domains) to a Family of Models Relevant to Bio-Inorganic Chemistry Arindam Chakraborty et al.        Biological Activity and Toxicity: A Conceptual DFT Approach Mihai V. Putz and Ana-Maria Putz     DFT Chemical Reactivity Driven by Biological Activity: Applications for the Toxicological Fate of Chlorinated PAHs. 410 0$aStructure and Bonding,$x0081-5993 ;$v150 606 $aChemistry, Inorganic 606 $aInorganic Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C16008 615 0$aChemistry, Inorganic. 615 14$aInorganic Chemistry. 676 $a546 702 $aPutz$b Mihai V.$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aMingos$b D. M. P.$f1944-$4edt$4http://id.loc.gov/vocabulary/relators/edt 906 $aBOOK 912 $a9910437820603321 996 $aApplications of Density Functional Theory to Biological and Bioinorganic Chemistry$92532095 997 $aUNINA