Theoretica chimica acta

, Volume 51, Issue 2, pp 121–135 | Cite as

Electric polarizabilities, magnetic susceptibilities and dispersion coefficients for hydrocarbons

II. Bond values
  • Jonathan A. Yoffe
Original Investigations

Abstract

Using wavefunctions given in the companion paper bond properties and interactions are computed. Results are in agreement with other theoretical estimates and provide good molecular results. Differences between similar bonds can be accounted for by change in bond length. Simple formulae can be used to normalize bond contributions according to bond length. Parameters should be applicable to macromolecules.

Key words

Bond properties Bond interactions Hydrocarbons 

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Copyright information

© Springer-Verlag 1979

Authors and Affiliations

  • Jonathan A. Yoffe
    • 1
  1. 1.Department of MathematicsUniversity of NottinghamUniversity ParkEngland

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