An Algorithm for Computing the Merrifield-Simmons Index

作者:Ahmadi M B*; Dastkhezr H Alimorad
来源:MATCH-Communications in Mathematical and in Computer Chemistry, 2014, 71(2): 355-359.

摘要

The Merrifield-Simmons Index i(G) of a molecular graph G is defined as the total number of the independent sets of the graph G, i.e., the total number of independent-vertex sets of G. it was shown that this index is correlated with the boiling points. In this paper, we present an algorithm for calculating the number of k-independent sets of graph G using its adjacency matrix and then we obtain the Merrifield-Simmons index of some graphs and some fullerene graphs by this algorithm.

  • 出版日期2014