title: On the cycle-dependence of topological resonance energy.
abstract: The topological resonance energy (TRE) was conceived in the 1970s. From the very beginning, it was known that TRE is equal to the collective energy-effect of all cycles present in a conjugated molecule. Also in the 1970s a theory of cyclic conjugation was elaborated, by means of which it was possible to compute the energy-effect ef(Z) of each individual cycle Z present in a conjugated molecule. Yet, the connection between TRE and the ef(Z)-values was, until now, not studied. We now show that TRE and the sum of the ef(Z)-values are closely correlated but that a certain correction needs to be made by taking into account the energy-effects of pairs, triplets, quartets, etc. of cycles.
authors.affiliation: Faculty of Science, University of Kragujevac, 34000 Kragujevac, Serbia. gutman@kg.ac.yu
authors.forename: Ivan
authors.initials: I
authors.lastname: Gutman
authors.forename: Sonja
authors.initials: S
authors.lastname: Stanković
authors.forename: Jelena
authors.initials: J
authors.lastname: Durdević
authors.forename: Boris
authors.initials: B
authors.lastname: Furtula