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 C 60 cluster and the C 2H 2LiCl carbenoid, rendered with the help of RhoScope, are presented.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
