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Hydrogen Bonding and Donor—Acceptor Interactions

  • Chapter
Applications of Electronic Structure Theory

Part of the book series: Modern Theoretical Chemistry ((MTC,volume 4))

Abstract

Ab initio calculations have played an important role in the development of the theory of the hydrogen bond. First, the calculations have been able to predict properties of hydrogen-bonded complexes prior to experimental observation. Second, the ab initio calculations have been the standard against which semiempirical MO calculations and model theories could be evaluated. Finally, these calculations have provided an important framework for understanding the chemical properties of the hydrogen bond, and its relation to other donor-acceptor interactions and to covalent bonds.

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  1. Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco, California, USA

    Peter A. Kollman

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  1. University of California, Berkeley, USA

    Henry F. Schaefer III

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Kollman, P.A. (1977). Hydrogen Bonding and Donor—Acceptor Interactions. In: Schaefer, H.F. (eds) Applications of Electronic Structure Theory. Modern Theoretical Chemistry, vol 4. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-8541-7_3

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