How to Design Non-Kekule Polyhex Graphs?
Haruo Hosoya · University of Zagreb University Computing Centre (SRCE) · 1986
An efficient algorithm is proposed for designing alternant hydrocarbons with the same numbers of starred and unstarred carbon atoms but with no Kekule structure.This algorithm is based on the interesting alternant properties of the non-zero coefficients of the NBMO (non-bonding molecular orbital) of special series of odd alternant hydrocarbon radicals.* Extension of the discussion in this paper to acyclic graphs is straightforward, and is not explicitly stated here.!