Merrifield-Simmons Index Of Molecular Graphs

Abstract

The mainobjective of this thesis is to compute Merrifield- Simmons index of molecular graphs. The molecular graph that is taken for this purpose is V- phenlynic graph. The nanostructures under consideration are nanosheet G = V PHY[p,q] and H = VPHZ[p,q] nanotube. We compute the results for V- phenlynic nanosheet and nano tube. To compute Merrifield- Simmons index, first we find all independent sets of said graphs. We use the technique of transfer matrix to solve this problem. We develop some algorithms to compute Merrifield- Simmons index of said graphs. We construct a matlab program for the final results.