On Distances in Benzenoid Systems

نویسنده

  • Victor Chepoi
چکیده

We show that the molecular graph G of a benzenoid hydrocarbon admits an isometric embedding into the Cartesian product of three trees T1, T2, and T3 defined by three directions of the host hexagonal grid. Namely, to every vertex V of G one can associate an ordered triplet (V1, V2, V3) with Vi being a vertex of Ti (i ) 1, 2, 3), such that the graph-theoretic distance between two vertices u, V of G equals the sum of respective tree-distances between ui and Vi. This labeling of the vertices of G can be obtained in O(n) time. As an application of this result we present an optimal O(n) time algorithm for computing the diameter of the graph G of a benzenoid system with n vertices.

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عنوان ژورنال:
  • Journal of Chemical Information and Computer Sciences

دوره 36  شماره 

صفحات  -

تاریخ انتشار 1996