Enumeration of Kekulé Structures in Defective Patterns of Rectangular GraphiteReportar como inadecuado




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Croatica Chemica Acta, Vol.79 No.3 November 2006. -

The number of Kekulé structures is an indicator of the aromatic character of the underlying polybenzenoid. Graphite is a polybenzenoid. In this paper, a new algorithm is proposed for determining the number of Kekulé structures in rectangular graphite and its incomplete and defective variants. Defective patterns model functionalized structures. Moderate functionalization will cause a slight increase in the aromatic properties of the underlying patterns.

conjugated systems; functionalization; aromatic character; aromaticity



Autor: István Lukovits -

Fuente: http://hrcak.srce.hr/



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