CCL: Isosurface representation of VSCC

 Sent to CCL by: "Tobias  Kraemer" [tobias.kraemer*mu.ie]
 Dear all,
 I have a question for those of you with experience in QTAIM analysis, in
 particular the Laplacian topology. I have seen a number of of publications
 that showed isosurface representations of the Valence-Shell Charge
 Concentration (VSCC) regions around a specific atom (in a molecule), nicely
 highlighting bonding (bcc) and lonepair (nbcc) regions. One such example
 can be found in Stalke's paper Organometallics, 2008, 27, 2306. I have been
 playing around with some model systems and the AIMALL software, and whilst
 I was able to figure out how to perform a topological analysis of the
 Laplacian itself, it is not clear to me how to visualise these VSCC regions
 as envelope surfaces. As far as I understand this is not simply a 3D plot
 of the Laplacian (or L(rho) function), but I might be wrong.
 Could anybody give me some advise which programs can do this and how it is
 done? I'd be curious to learn this and appreciate your help.
 Kind regards,
 Tobias