On Second Geometric-Arithmetic Index and Co-PI Index of Special Chemical Molecular Structures
Wei Dong Gao, Liang Li, Yuhua Chen · Annals of Pure and Applied Mathematics · 2017
In theoretical chemistry, chemical compounds and drugs are modelled as graphs, and the second geometric-arithmetic index and Co-PI index have been introduced to measure the stability of alkanes and the strain energy of cycloalkanes.These indices have found several applications in QSPR/QSAR study, and also used to test the toxicity of drugs.In this paper, we present the computational formulas for calculating the second geometric-arithmetic index and Co-PI index of unilateral polyomino chain, unilateral hexagonal chain, V-phenylenic nanotubes and nanotori, and hexagonal triangle graph.In addition, the general second geometric-arithmetic index and general Co-PI index are defined, and the representations of special chemical molecular graphs in general version are derived.