| Literature DB >> 15032503 |
Ivan Gutman1, Damir Vukicević, Ante Graovac, Milan Randić.
Abstract
An algebraic Kekulé structure of a benzenoid hydrocarbon is obtained from an ordinary Kekulé structure by inscribing into each hexagon the number of pi-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.Entities:
Year: 2004 PMID: 15032503 DOI: 10.1021/ci030417z
Source DB: PubMed Journal: J Chem Inf Comput Sci ISSN: 0095-2338