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Algebraic Method for Solving Multiple Degenerate Eigenvalues in [r]Triangulenes
1Department of Chemistry, University of Missouri, Kansas City, Missouri 64110-2499, United States.
Abstract:
An algebraic procedure for overcoming the multiple degeneracy problem in eigenvalue (root) determination of the characteristic polynomial of 3-fold symmetrical molecular graphs is given. This leads to the tabulation of Hückel molecular orbital binding energy (Eπ) and eigenvalues (roots) for [2]triangulene to [9]trianguene for the first time. Triangulenes are the smallest possible condensed benzenoid polyradicals.
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