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Croatica Chemica Acta, Vol. 49 No. 3, 1977.

Original scientific paper

Topological Resonance Energies of Annulenes

I. Gutman ; Theoreticai Chemistry Group, The Ruder Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
M. Milun ; Theoreticai Chemistry Group, The Ruder Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić ; Theoreticai Chemistry Group, The Ruder Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia

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Abstract

The recently developed concept of topological resonance energy,
TRE, (the optimal non-parametric realization of Dewars-type resonance
energy, DRE) is applied to neutral (odd and even) and
charged annulenes. Analytical expressions for TRE of neutral
annulenes, their mono- and di-cations, and mono- and di-anions
are derived. The results obtained are in good agreement with
experimental findings for both neutral and charged annulenes.

Keywords

Hrčak ID:

196339

URI

https://hrcak.srce.hr/196339

Publication date:

20.7.1977.

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