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Structural Chemistry

, Volume 2, Issue 6, pp 543–554 | Cite as

Maximum valence structures in nonbenzenoid polycyclic hydrocarbons

  • Milan Randić
  • Dejan Plavšić
  • Nenad Trinajstić
Article

Abstract

A number of polycyclic nonbenzenoids obtained by fusion benzene and cyclobutadiene rings were examined using the maximum valence structure model. The model assumes that only Kekulé valence structures associated with the largest weight contribute to the overall molecular description. The weights of individual valence structures were determined by the smallest Pauling bond order found for any of CC double bonds occurring in a particular structure. Similarities and differences between the maximum valence structure model and models using all Kekulé valence structures are discussed.

Keywords

Physical Chemistry Benzene Hydrocarbon Double Bond Bond Order 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© VCH Publishers, Inc 1991

Authors and Affiliations

  • Milan Randić
    • 1
  • Dejan Plavšić
    • 2
  • Nenad Trinajstić
    • 2
  1. 1.Department of Mathematics and Computer ScienceDrake UniversityDes MoinesUSA
  2. 2.Rugjer Bošković InstituteZagrebThe Republic of Croatia

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