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Kekulé structures and resonance energies of benzenoid hydrocarbons

✍ Scribed by Robert Swinborne-Sheldrake; William C. Herndon; Ivan Gutman

Publisher
Elsevier Science
Year
1975
Tongue
French
Weight
165 KB
Volume
16
Category
Article
ISSN
0040-4039

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✦ Synopsis

In this paper we show that resonance energies and localization energies of benzenoid hydrocarbons can be obtained by counting resonance structures , and that results are tantamount to the best obtainable from highly parameterized SCF-LCAO-MO calculations.

The number of Kekul6 structures for a benzenoid hydrocarbon is accepted to be an approximate empirical measure of resonance stabilization.

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Enumeration of branched catacondensed be
Enumeration of branched catacondensed benzenoid hydrocarbons and their numbers of kekulé structures
✍ A.T. Balaban; J. Brunvoll; B.N. Cyvin; S.J. Cyvin 📂 Article 📅 1988 🏛 Elsevier Science 🌐 French ⚖ 556 KB

The computerized enumerations of unbranched catafusenes (ca condensed benzenoids) are summarized . The systems are classified accord to symmetry . The numbers of helicenic systems are given explicitly . The results of enumerations .for branched catafusenes are also reported, and the systems without