

Ari:

	You can find examples of the use of properties of the total charge
density to characterize intermolecular interactions in Bader's book

	R. F. W. Bader, Atoms in Molecules - A Quantum Theory, Oxford
	University Press, Oxford, 1990.

	[http://www.chemistry.mcmaster.ca/faculty/bader]

and the work of Bader and M. T. Carroll.  For the studies of the
relationship between the properties of critical points and bonding
strength, you might want to look at the work of R. J. Boyd.

	The topology of the charge density in the systems you discussed
should be relatively straightforward.  I don't know why you had difficulty
with Gaussian, but you might want to look into getting the latest versions
of Bader's AIMPAC program suite.  Write Bader at

	[email-masked]

You might also want to investigate P. L. A. Popelier's program MORPHY
which provides a very nice and automated procedure for searching the
topology.

	MORPHY, a program for an automatic Atoms in Molecules Analysis, PLA
	Popelier, Comp.Phys.Comm, 1996 93, 212. 
	
	[http://uchsg11.ch.umist.ac.uk/popelier.htm]

	Good Luck...

	Keith

+-| Keith E. Laidig, Ph.D.,  Research Associate
+-| Department of Medicinal Chemistry 
+-| University of Washington,  Seattle,  WA  98195-7610
+-| E-Mail: [email-masked]             Phone#: (206) 616-2780
+-| WWW: http://weber.u.washington.edu/~laidig  FAX  #: (206) 685-3252
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