Literature DB >> 15032503

Algebraic Kekulé structures of benzenoid hydrocarbons.

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


  1 in total

Review 1.  Quantum-mechanical calculations on molecular substructures involved in nanosystems.

Authors:  Beata Szefler; Mircea V Diudea
Journal:  Molecules       Date:  2014-09-26       Impact factor: 4.411

  1 in total

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