abstract. topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. graph theory is a delightful playground for the exploration of proof techniques in discrete mathematics and its results have applications in many areas of sciences. one of the us...

Abstract For a connected graph, the first Zagreb eccentricity index $\xi _{1}$ ? 1 is defined as sum of squares eccentricities all vertices, and second _{2}$ 2 products pairs adjacent vertices. In this paper, we mainly present different universal approa...

In this paper we describe the application in QSPR/QSAR studies of a new group of molecular descriptors: atom, atom-type and total linear indices of the molecular pseudograph's atom adjacency matrix. These novel molecular descriptors were used for the prediction of boiling point and partition coefficient (log P), specific rate constant (log k), and antibacterial activity of 28 alkyl-alcohols and...

The main interaction between pyridine and zeolites leads to form a hydrogen bond between the N atom of pyridine and OH groups of zeolites. The present work reports a theoretical study about the structural, vibrational and topological properties of the charge distribution of the molecular complexes between pyridine and a series of acids sites of zeolites. The calculated structural parameters...

The generalized Mycielskians are the generalization of the Mycielski graphs, which were introduced by Mycielski in 1955. A topological index is a numeric parameter mathematically derived from a graph and is invariant under automorphism of graphs. Topological indices are widely used for establishing correlations between the structure of a molecular compound and its different physico-chemical pro...