Algorithm for generating generalized resonance structures of single zigzag chains based on interface theory

Abstract

An alternative formulation of the theory of generalized resonance structures (Clar covers) of single zigzag chains N(n), based on the novel concept of interfaces, is presented. The global structure of every Clar cover can be conveniently expressed as a unique sequence of n interfaces. The complete set of Clar covers is then robustly constructed as the complete set of walks of length on the associated interface connectivity graph. The presented algorithm is readily generalizable to an arbitrary class of benzenoid structures.