Hexagonal chains with maximal total π -electron energy

Fuji Zhang, Zimao Li, Lusheng Wang

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

51 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)131-137
JournalChemical Physics Letters
Volume337
Issue number1-3
DOIs
Publication statusPublished - 30 Mar 2001

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