Returnability in complex directed networks (digraphs)

The concept of returnability is proposed for complex directed networks (digraphs). It can be seen as a generalization of the concept of reciprocity. Two measures of the returnability are introduced. We establish closed formulas for the calculation of the returnability measures, which are also related to the digraph spectrum. The two measures are calculated for simple examples of digraphs as well as for real-world complex directed networks and are compared with the reciprocity

Topological atomic displacements, Kirchhoff and Wiener indices of molecules

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