Benzenoid isomers with extremal values of the Kekulé structure count

Abstract

In families of benzenoid isomers, the molecules with maximum (minimum) Kekulé structure counts should possess maximum (minimum) stability and other distinguished properties. Identifying these extremal isomers turns out to be a difficult task. In this paper we solve such a problem for the class of isomers <i>B(m,n), </i> obtained from a benzenoid molecule <i>B </i> by attaching to its two fixed sites linear polyacene fragments of length <i>m</i> and <i>n; m</i> + <i>n </i> = constant.