论文信息 - Facile calculations of select eigenvalues and the characteristic polynomial of small molecular graphs containing heteroatoms

Facile calculations of select eigenvalues and the characteristic polynomial of small molecular graphs containing heteroatoms

Determination of common eigenvalues by embedding smaller subgraphs onto larger ones is illustrated. A nearly universal expression of the sixth coefficient of the characteristic polynomial valid for all conjugated hydrocarbon polyenes is presented. Its use in a graph theoretical determination of the Huckel MO characteristic polynomial of molecular graphs possessing heteroatoms is detailed.

Jerry Ray Dias

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