Quantum Chemistry of the Hydrogen Bond

  • L. G. Vanquickenborne

Abstract

This chapter reviews the quantum-chemical approach to the hydrogen bond, and compares this approach with the theoretical description of other bond types. Morokuma’s partitioning of the hydrogen bond into electrostatic, exchange, polarization, and charge transfer contribution is discussed in some detail. Special attention is given to the construction of density difference maps, as these maps are able to illustrate the bond formation in a rather illuminating way.

Keywords

Fluoride Carbonyl Hydride Fluorine 

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Copyright information

© Springer-Verlag Berlin, Heidelberg 1991

Authors and Affiliations

  • L. G. Vanquickenborne

There are no affiliations available

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