Hexagonal systems with fixed bonds

Hexagonal systems with fixed bonds

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Article ID: iaor1995283
Country: Netherlands
Volume: 47
Issue: 3
Start Page Number: 285
End Page Number: 296
Publication Date: Dec 1993
Journal: Discrete Applied Mathematics
Authors: , ,
Abstract:

In this paper the authors give an O(n2) algorithm to determine fixed bonds and normal subhexagonal systems in a hexagonal system. By this algorithm they can decompose a hexagonal system into a number of regions consisting of fixed bonds and a number of normal subhexagonal systems. This decomposition can be used to simplify the procedure of finding Clar’s formula, counting the number of Kekulé structures and constructing the Z-transformation graph of a hexagonal system with fixed bonds, especially for large hexagonal systems. The authors also give characterizations of hexagonal systems with fixed single and double bonds, respectively.

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