  Aromaticity is a well-known phenomenon in both physics and chemistry, and is
responsible for many unique chemical and physical properties of aromatic
molecules. The primary feature contributing to the stability of polycyclic
aromatic hydrocarbons is the delocalised $\pi$-electron clouds in the $2p_z$
orbitals of each of the $N$ carbon atoms. While it is known that electrons
delocalize among the hybridized $sp^2$ orbitals, this paper proposes quantum
walk as the mechanism by which the delocalization occurs, and also obtains how
the functional chemical structures of these molecules arise naturally out of
such a construction. We present results of computations performed for some
benzoid polycyclic aromatic hydrocarbons in this regard, and show that the
quantum walk-based approach does correctly predict the reactive sites and
stability order of the molecules considered.
