Clar Polynomials of Large Benzenoid Systems

Milan Randić,* Sherif El-Basil,§ Sonja Nikolić, and Nenad Trinajstić
Department of Mathematics and Computer Science, Drake University, Des Moines, Iowa 50311, Faculty of Pharmacy, Kasr El-Aini Street, Cairo 11562, Egypt, and The Rugjer Bokovi Institute, P.O. Box 1016, HR-10001 Zagreb, Croatia
J. Chem. Inf. Comput. Sci., 1998, 38 (4), pp 563–574
DOI: 10.1021/ci970035r
Publication Date (Web): May 28, 1998
Copyright © 1998 American Chemical Society

 This paper is dedicated to Professor Maximilian Zander in appreciation of his life-long devotion to the chemistry of polycyclic aromatic compounds.

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*

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

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 Drake University.

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 Faculty of Pharmacy.

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 The Rugjer Bošković Institute.

Abstract

We discuss the constructions of Clar-like valence structures and the associated Clar polynomials for large benzenoids. We have shown that Clar polynomial satisfy a theorem analogous to the Clarke's theorem for the characteristic polynomial of graphs, which allows one to reconstruct the polynomial of a system from the polynomials associated with qualified substructures. In the case of Clar's polynomial the substructures are obtained by deleting individual benzene rings from the considered benzenoid, one at a time. This property of Clar polynomial allows one to construct the polynomial of larger systems from known Clar's polynomials of smaller benzenoids.

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History

  • Published In Issue July 20, 1998
  • Received May 21, 1997

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