engleski

Numerical characterization of cyclicity

We propose characterizing of the cyclicity of molecular graphs by considering their D/DD matrix. Each non-diagonal element of D/DD is a quotient of the corresponding elements of the distance matrix D and the detour matrix DD of a graph. In particular, we are using the leading eigenvalue of the D/DD matrix as a descriptor of cyclicity and are investigating for monocyclic graphs C_n how this eigenvalue depends on the number of vertices n, as n approaches infinity.

molecular descriptor; cyclicity

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