Abstract
A comparison of the performance of some specific topological indices was conducted. The study was concentrated on determining which topological indices are included in the best linear correlation models constructed for modeling the total energy of zig-zag nanotubes. The normalization of some particular widely used topological indices such as the Wiener index, Shultz index, hyper Wiener index, Harary index, Szeged index, multiplicative Wiener index and reciprocal complementary–Wiener index plus total energy of 56 zigzag polyhex nanotubes was considered in this study.
Keywords: Wiener index, topological index, total energy, quantitative structure–property relationships, nanotubes.
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