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• W2145219079 abstract "We provide a physical interpretation of the Kirchhoff index of any molecules as well as of the Wiener index of acyclic ones. For the purpose, we use a local vertex invariant that is obtained from first principles and describes the atomic displacements due to small vibrations/oscillations of atoms from their equilibrium positions. In addition, we show that the topological atomic displacements correlate with the temperature factors (B-factors) of atoms obtained by X-ray crystallography for both organic molecules and biological macromolecules." @default.
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• W2145219079 date "2010-02-01" @default.
• W2145219079 modified "2023-10-17" @default.
• W2145219079 title "Topological atomic displacements, Kirchhoff and Wiener indices of molecules" @default.
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• W2145219079 doi "https://doi.org/10.1016/j.cplett.2009.12.090" @default.
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