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Method of calculating induction interactions

Report at the General Meeting of the Division of General and Technical Chemistry of the Academy of Sciences of the USSR, Moscow, April 16, 1968
  • B. V. Nekrasov
Physical Chemistry
  • 15 Downloads

Conclusions

  1. 1.

    A general approach to the calculation of induction interactions in molecules has been developed, and concrete results obtained for saturated hydrocarbons.

     
  2. 2.

    The results of a calculation of compounds of this class give an individual quantitative characterization of each atom and each valence bond.

     
  3. 3.

    The atomic heats of formation of substances obtained by summing the energies of such bonds are in good agreement with their experimental values, thereby confirming the correctness of the proposed method.

     
  4. 4.

    In principle this method is also applicable to compounds of other classes, but its extension to them may involve great difficulties, due chiefly to the deficiency of reliable values of the required initial data.

     

Keywords

Hydrocarbon Initial Data Great Difficulty Valence Bond Saturated Hydrocarbon 
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Literature cited

  1. 1.
    E. V. Nekrasov, Zh. Obshch. Khim.,16, 1797 (1946).Google Scholar
  2. 2.
    L. Pauling, The Nature of the Chemical Bond, 3 Ed., Cornell Univ. Press, New York (1960), p. 90.Google Scholar
  3. 3.
    E. V. Nekrasov, Zh. Obshch. Khim.,16, 983 (1946).Google Scholar
  4. 4.
    Physicochemical Properties of Individual Hydrocarbons (Handbook) [in Russian], Gostoptekhizdat (1960).Google Scholar

Copyright information

© Consultants Bureau 1969

Authors and Affiliations

  • B. V. Nekrasov

There are no affiliations available

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