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RT Book, Whole SR Electronic DC OPAC T1 Atomic charges, bond properties, and molecular energies / Sándor Fliszár A1 Fliszár, Sándor YR 2009 FD ©2009 SP 1 online resource (xii, 234 pages) K1 Chemical bonds K1 SCIENCE -- Chemistry -- Physical & Theoretical K1 Chemical bonds K1 Chemische Bindung K1 Electronic books K1 Electronic book PB Wiley PP Hoboken, N.J SN 9780470405895 SN 0470405899 SN 9780470376225 SN 0470376228 SN 9780470405918 SN 0470405910 SN 1281938602 SN 9781281938602 LA English (英語) CL LCC:QD461 CL DC22:541/.224 NO Includes bibliographical references (pages 219-229) and index NO Charge distributions -- Theoretical background -- Core and valence electrons -- The valence region of molecules -- Inductive effects; atomic charges -- Atomic charges and NMR shifts -- Charges and ionization potentials -- Population analysis -- Chemical bonds: energy calculations -- Thermochemical formulas -- The chemical bond: theory (I) -- The chemical bond: theory (II) -- Bond dissociation energies -- Applications -- Saturated hydrocarbons -- Unsaturated hydrocarbons -- Nitrogen-containing molecules -- Oxygen-containing molecules -- Perspectives NO The first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained presentation develops relatively uncomplicated but physically meaningful approaches to molecular properties by providing derivations of all the required formulas from scratch, developed in Professor Fliszar's laboratory. This book is vitally relevant to organic- and biochemists, molecular biologists, mat NO Print version record NO Use copy Restrictions unspecified star MiAaHDL NO Electronic reproduction [S.l.] HathiTrust Digital Library 2010 MiAaHDL NO Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002 http://purl.oclc.org/DLF/benchrepro0212 MiAaHDL NO digitized 2010 HathiTrust Digital Library committed to preserve pda MiAaHDL NO Master record variable field(s) change: 050, 082 NO HTTP:URL=https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=254105 Information=EBSCOhost NO 書誌ID=EB00004229; LK [E Book]https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=254105 OL 30