Hexagonal chains with maximal total π -electron energy

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Original languageEnglish
Pages (from-to)131-137
Journal / PublicationChemical Physics Letters
Volume337
Issue number1-3
Publication statusPublished - 30 Mar 2001

Abstract

In the preceding Letter we determined the hexagonal chain (benzenoid hydrocarbon) with minimal total π-electron energy. Further to that work, in this Letter the following result is obtained: in the set of all hexagonal chains with n hexagons, the zig-zag chain (zig-zag polyacene) has the maximal energy. © 2001 Elsevier Science B.V.

Citation Format(s)

Hexagonal chains with maximal total π -electron energy. / Zhang, Fuji; Li, Zimao; Wang, Lusheng.

In: Chemical Physics Letters, Vol. 337, No. 1-3, 30.03.2001, p. 131-137.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review