Abstract
In recent work [Gutman et al. (2004) Chem Phys Lett 383: 171] a method was developed by means of which the influence of non-bonding molecular orbitals (NBMOs) on the value of total π-electron energy (E) can be separated from the multitude of other molecular-structure-dependent effects. We now extend this method and establish the relation between E and the number n0 of NBMOs. It is shown that E (when computed within the HMO approximation, and expressed in the units of the HMO resonance integral β) is a decreasing function of n0, and that the dependence of E on n0 is almost perfectly linear.
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