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Electronic structure of möbius annulenes

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JournalChemical Physics Letters
DatePublished - 3 Nov 1981
Issue number3
Volume83
Number of pages4
Pages (from-to)529-532
Original languageEnglish

Abstract

Expressions for the total π-electron energies and charge-bond-order matrices of even Möbius annulenes are derived in the framework of the HMO approximation. Structures with equal bond lengths as well as structures exhibiting bond alternation are considered. A comparison is drawn between even Hückel and Möbius annulenes.

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