Relating resonance energy with the Zhang-Zhang polynomial

Author:

Gojak Sabina1,Gutman Ivan2,Radenkovic Slavko2,Vodopivec Andrej3

Affiliation:

1. Faculty of Science, Sarajevo, Bosnia and Herzegovina

2. Prirodno-matematički fakultet, Kragujevac

3. Department of Mathematics, IMFM, Ljubljana, Slovenia

Abstract

The Zhang-Zhang polynomial ?(x) is a recently conceived tool in the mathematical apparatus of theoretical chemistry. It combines (in a quantitative manner) the Kekul?- and Clar-structure-based features of benzenoid molecules. It is shown that the topological resonance energy (TRE) can be accurately approximated as TRE ? a??(x)+ b where x?0.5, by which fact a significant insight is gained into the structure-dependence of TRE of benzenoid molecules.

Publisher

National Library of Serbia

Subject

General Chemistry

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