RhoScope: a highly portable computer program for visualization of the zero-flux atomic surfaces.
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.
Nanayakkara
A
A
Department of Chemistry, Florida State University, Tallahassee 32306-3006.
Cioslowski
J
J
D002244:Carbon / Q000737:chemistry; D003196:Computer Graphics; D004583:Electrons; D008958:Models, Molecular; D012984:Software; D013499:Surface Properties
D002244:Carbon