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RhoScope: a highly portable computer program for visualization of the zero-flux atomic surfaces
1Department of Chemistry, Florida State University, Tallahassee 32306-3006.
Journal of Molecular Graphics
|March 1, 1994
Abstract:
Atomic boundaries are defined within the topological theory of atoms in molecules as zero-flux surfaces in the gradient of electron density. The so-defined atomic surfaces often have quite complicated shapes that reflect the local characteristics of the electron distribution. A highly portable computer visualization program, called RhoScope, that displays the zero-flux atomic surfaces is described in this article. Examples of atomic surfaces in the C60 cluster and the C2H2LiCl carbenoid, rendered with the help of RhoScope, are presented.