In the present study, a generalized approach for molecular structure characterization is introduced, based on the relation frequency matrix (F) representation of the molecular graph and the subsequent calculation of the corresponding discrete derivative (finite difference) over a pair of elements (atoms). In earlier publications (22- 24), an unique event,â€¦ (More)

This report examines the interpretation of the Graph Derivative Indices (GDIs) from three different perspectives (i.e., in structural, steric and electronic terms). It is found that the individual vertex frequencies may be expressed in terms of the geometrical and electronic reactivity of the atoms and bonds, respectively. On the other hand, it isâ€¦ (More)

In the crystal structure of the title compound, C(40)H(26)N(4), mol-ecules reside on crystallographic centers of inversion and are linked via C-Hâ‹¯N inter-actions about inversion centers into one-dimensional chains: longer C-Hâ‹¯Ï€(arene) inter-actions complete the inter-molecular inter-actions.