Geometry-dependent connectivity indices for the characterization of molecular structures

Geometry-dependent connectivity indices are proposed based on the Euclidian connectivity distances between the nuclei for characterizing the molecular structures. It is shown that these indices are directly related to the compactness of molecules in the three-dimensional space and thus these indices differentiate structures which otherwise may not be differentiated by graph-theoretical indices as exemplified with chrysene and benzo(c)phenanthrene.