Topology Molecular Indices Relationship of Electronic Properties of N-Alkanes and Branched Alkanes

Eight electronic properties; HUMO, LUMO, HOMO-LUMO energy gap, dipole moment point-charge, hybrid, molecular weight, heat of formation and zero-point 60 normal branched alkanes were examined using topology indices. All the properties calculated semi-empirical self-consistent orbital theory. The relationship calculation with seven models indices based on degree and/or distance obtained in terms their correlation, regression principal component analysis. Most well-modelled (r2 > 0.82) by except point-charge hybrid. PCA resulted 7 structures that produced two components eigenvalues greater than 1. first explained 60.388%, while second 26.457%, bringing a cumulative value 86.845% to data variation.