Abstract
Generally a benzenoid hydrocarbon represented by a Kekuléan molecular graph can be partitioned into base sets of Kekuléan substructures (the molecules–in–molecule approach). For example, a Kekulé structure is a composite of ethylene units (double bonds); and a Clar structure, of ethylene and benzene units. Such a Kekuléan substructure accommodates or contains a fraction of the π–electrons. We define two kinds of indices; a set of local indices representing the distribution of the π–electrons in the whole molecule; and a net index estimating the π–electron capacity of the associated partitioning. The stability afforded by such a partitioning increases as the net capacity index becomes larger.
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