Let G be a (molecular) graph. The Merrifield-Simmons index of G, denoted by σ(G), is defined as the number of subsets of the vertex set V(G) in which no two vertices are adjacent in G, i.e., the number of independent sets of G. In this paper, we determine all connected graphs with 2 n-2 ≤σ(G)≤2 n-1 , for n≥10. As a byproduct, the graphs of n vertices and m edges with the largest, the second
... [Show full abstract] largest Merrifield-Simmons index are obtained, for n≤m≤2n-3.