Atomic charges, bond properties, and molecular energies /

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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 prese...

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Bibliographic Details
Call Number:Libro Electrónico
Main Author: Fliszár, Sándor
Format: Electronic eBook
Language:Inglés
Published: Hoboken, N.J. : Wiley, ©2009.
Subjects:
Chemical bonds.
SCIENCE > Chemistry > Physical & Theoretical.
Chemical bonds
Chemische Bindung
Online Access:Texto completo
Table of 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.

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