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

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

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.

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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.

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

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