Topological Indices and Total Energy of Zig-Zag Polyhex Nanotubes
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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