Algebraic Kekulé Structures of Benzenoid Hydrocarbons

An algebraic Kekulé structure of a benzenoid hydrocarbon is obtained from an ordinary Kekulé structure by inscribing into each hexagon the number of π-electrons which (according to this Kekulé structure) belong to this hexagon. We show that in the case of catafusenes, there is a one-to-one correspon...

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Veröffentlicht in:Journal of Chemical Information and Computer Sciences 2004-03, Vol.44 (2), p.296-299
Hauptverfasser: Gutman, Ivan, Vukičević, Damir, Graovac, Ante, Randić, Milan
Format: Artikel
Sprache:eng
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Zusammenfassung:An algebraic Kekulé structure of a benzenoid hydrocarbon is obtained from an ordinary Kekulé structure by inscribing into each hexagon the number of π-electrons which (according to this Kekulé structure) belong to this hexagon. We show that in the case of catafusenes, there is a one-to-one correspondence between ordinary and algebraic Kekulé structures. On the other hand, in the case of perifusenes, one algebraic Kekulé structure may correspond to several ordinary Kekulé structures.
ISSN:0095-2338
1549-9596
1549-960X
DOI:10.1021/ci030417z