The evaluation of moments for benzenoid hydrocarbons

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1995 English Publisher:Springer Science and Business Media LLCJournal:Theoretica Chimica Acta, volume 90, pages 135-144 (issn: 0040-5744, eissn: 1432-2234,

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Authors: Yuansheng Jiang; Xiaoliang Qian; Yihan Shao;

doi: 10.1007/bf01113844 , 10.1007/s002140050065

The evaluation of moments for benzenoid hydrocarbons

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Abstract

A systematic derivation of moments for polyhexes is presented, covering the tenth and twelfth members for the first time. The total Huckel π-electron energy is computed in terms of moments with desired precision. Equations governing various molecular fragments are useful for enumerating embeddings of acyclic chains (rooted trees) in polyhexes.

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Nanjing University
China (People's Republic of)
Nanjing University
China (People's Republic of)

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