Abstract

The topological resonance energy ( TRE ) of a catacondensed benzenoid hydrocarbon with h six-membered rings and K Kekule structures can be calculated by the (approximate) formula TR E = Ah + B + CK e–Dh , where A = 0 . 136, B = –0 . 223, C = 0 . 281, and D = 0 . 454. Thus, within classes of benzenoid isomers, TR E is an increasing linear function of K . The greater is h , the smaller the effect of the number of Kekule structures on TR E.

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