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It is separated from neighbouring atoms by interatomic surfaces. The existence of an interatomic surface SAB denotes the presence of a (3,-1) critical point between neighbouring nuclei A and B. y of molecular charge distributions. ding the boundaries between the basins of neighbouring atoms. As discussed above and illustrated in Fig. he Hessian of p at r e . ained by solving the differential eqn (8), for initial conditions r o = reO), such that each r o belongs to the intersection of the surface with the above neighbourhood of r e and IS thus expressible as a linear combination of vI and v 2 .

Y difference maps. Such deformation maps show a region of charge depletion between these nuclei for the propellanes as well as for the bicyclic molecules. First, there is no physical basis for demanding that a density difference map in a polyatamic molecule show a charge buildup between a pair of nuclei if the nuclei are to be considered bonded to one another. rary in its construction. ng on whether' one employs spherical atom densities or densities of atoms in prepared valence states in the construction of the promolecule density.

His most. important. 8placian of p. ity V"p, and it detennines where electronic charge is locally concentrated and depleted. is model. 4 ' 5 The Laplacian of the charge density plays a dominant. hroughout. heory, appearing in the constraint. ributions to the energy. he electronic charge density is therefor-e, of paramount importance. ack. In addition, one can define and classify the bonds which link the atoms and deter'mine the system's molecular structure. ion of the topological properties of the electronic charge density.

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