On algebraic and geometric Kekulé structures in benzenoid rotagraphs

Graovac, Ante; Vukičević, Damir; Žerovnik, Janez (2006) On algebraic and geometric Kekulé structures in benzenoid rotagraphs. Croatica Chemica Acta, 79 (3). pp. 373-377. ISSN 0011-1643

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Abstract

Recently introduced algebraic Kekule structures (AKS) describe the pi-electron distribution within rings of a conjugated network. The ratio of the AKS count to the classical Kekule structures count was studied in benzenoid rotagraphs. By considering three representative classes of such rotagraphs, it was shown that this ratio tends towards either 1 or 0, or its value lies between 0 and 1.

Item Type:	Article
Uncontrolled Keywords:	Kekule structures; Kekule structure count; geometric and algebraic Kekule structures; benzenoids; rotagraph; polycyclic conjugated hydrocarbons; pi-electrons; rings
Subjects:	NATURAL SCIENCES > Chemistry
Divisions:	NMR Center
Projects:	Project title Project leader Project code Project type Diskretni matematički modeli u kemiji [256631] Damir Vukičević 177-0000000-0884 MZOS Modeliranje molekula i materijala metodama matematičke i računarske kemije [14191] Ante Graovac 098-0982929-2940 MZOS
Depositing User:	Virna Brumnić
Date Deposited:	28 Oct 2013 10:52
URI:	http://fulir.irb.hr/id/eprint/853

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