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Atomic charges, bond properties, and molecular energies / Sándor Fliszár.

TextPublisher: Hoboken, N.J. : Wiley, [2009]Copyright date: ©2009Description: 1 online resource (xii, 234 pages) : illustrationsContent type: text Media type: computer Carrier type: online resourceISBN: 9780470405895; 0470405899; 9780470376225; 0470376228; 9780470405918; 0470405910; 1281938602; 9781281938602Subject(s): Chemical bonds | Chemical bonds | SCIENCE -- Chemistry -- Physical & Theoretical | Chemical bonds | Chemische BindungGenre/Form: Electronic books.Additional physical formats: Print version:: Atomic charges, bond properties, and molecular energies.DDC classification: 541/.224 LOC classification: QD461 | .F536 2009ebOther classification: VE 5300 | VK 5700 Online resources: Wiley Online Library

Contents:

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.

Action note: digitized 2010 committed to preserveSummary: 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.

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Holdings
Item type	Current library	Call number	Status	Date due	Barcode
Ebooks	Mysore University Main Library		Not for loan		EBJW790

Includes bibliographical references (pages 219-229) and index.

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.

Print version record.

Use copy Restrictions unspecified star MiAaHDL

Electronic reproduction. [S.l.] : HathiTrust Digital Library, 2010. MiAaHDL

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. MiAaHDL

http://purl.oclc.org/DLF/benchrepro0212

digitized 2010 HathiTrust Digital Library committed to preserve pda MiAaHDL

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