Abstract
From a pure geometric point of view a three-dimensional molecular configuration can be considered to be a polyhedral skeleton. Based on the convex hull of the polyhedron it is possible to define a sphericity measure for the enclosing framework. This sphericity function which may be expressed in spatial coordinates is capable to mirror information about the structural characteristics of a molecular arrangement that habitually can only be arrived at by quantum mechanical computations. This concept is applied to the well-known internal rotation process of C 2H 6, H 2O 2, and N 2H 4.
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