Conference paper

The Conjugated-Circuit Model Revisited

Nenad Trinajstić ; The Rugjer Bošković Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
Dejan Plavšić ; The Rugjer Bošković Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
Douglas J. Klein ; Department of Marine Sciences, Texas A&M University, Galveston, TX 77553, USA

Abstract

Two formulae for computing resonance energies of benzenoid
hydrocarbons within the conjugated-circuit model are considered.
The first is Randić's original formula developed in 1976 and the second is the result of the analysis of the foundations of the conjugated-circuit model in term s of the Simpson-Herndon model Hamiltonians. Both formulae produce very similar resonance energies. This analysis thus justifies Randić's ini ti al choi ce of circuits and their parameters.

Keywords

Hrčak ID:

175831

URI

https://hrcak.srce.hr/175831

Publication date:

25.2.1990.

Visits: 456 *