Novel distance-related matrix index and QSPR research for thermodynamics of methyl halides

Abstract

A novel topological index W_F is defined by the matrices X, W and L as W_F=XWL. The topological index WF based on the distance-related matrix of molecular graphs is used to code the structural environment of each atom-type in a molecular graph. Good QSPR models have been obtained for standard formation enthalpy of methyl holides. The result indicates that the idea of using multiple matrices to define the distance-related matrix topological index is valid.

Keywords

distance matrix / topological index / methyl halides

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