Mathematical chemistry is a branch of theoretical chemistry for discussion and prediction of the molecular structure using mathematical methods without necessarily referring to quantum mechanics. In theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. The Wiener Polarity index ...

mathematical chemistry is a branch of theoretical chemistry for discussion and prediction of the molecular structure using mathematical methods without necessarily referring to quantum mechanics. in theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. the wiener polarity index ...

The Zagreb indices are the oldest graph invariants used in mathematical chemistry to predict the chemical phenomena. In this paper we define the multiple versions of Zagreb indices based on degrees of vertices in a given graph and then we compute the first and second extremal graphs for them.

the zagreb indices are the oldest graph invariants used in mathematical chemistry to predictthe chemical phenomena. in this paper we define the multiple versions of zagreb indicesbased on degrees of vertices in a given graph and then we compute the first and secondextremal graphs for them.

the hosoya index and the merrifield-simmons index are two types of graph invariants used in mathematical chemistry. in this paper, we give some formulas for computed these indices for some classes of corona product and link of two graphs. furthermore, we obtain exact formulas of hosoya and merrifield-simmons indices for the set of bicyclic graphs, caterpillars and dual star.