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Calculation of the coefficients of the characteristic polynomial from its subgraphs

✍ Scribed by Honggang Zhao; Yin Wang

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 298 KB
Volume: 59
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)59:2<97::aid-qua1>3.0.co;2-r

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✦ Synopsis

The characteristic polynomial associated with -rr-electrons of conjugated molecules are discussed by using subgraphs derived from molecular graphs as a basis for their construction. A practical method has been developed for evaluating the coefficient uK of conjugated molecules. Applying this method, the general formulas of evaluating the coefficient uK for homologous conjugated molecules have been obtained. The approach is illustrated on a few simple conjugated systems, including also a few polymeric systems.

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