Affiliation:
1. Faculty of Science, University of Kragujevac, Yugoslavia
Abstract
Abstract
A method for computation of the topological resonance energy (TRE) of linear polyacenes is described. When the length of the polyacene chain increases, TRE tends to 0.02 β units per π-electron, contrary to a previous prediction [1]. The ionization potential and the energy of the p-band of linear polyacenes are found to be excellently correlated with TRE.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics
Cited by
10 articles.
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