Re: charge distribution calculation in quaternary ammonium salts

["Edmund Ndip" <egelndip' at \`series2000.com>]

 Hi all:
 I am doing some calculations on charges and conformational changes in
 quaternary ammonium salts.  I have tried to find references of any kind -
 theoretical studies, modeling, molecular mechanics, ab initio, semi
 empirical and the like.  I just haven't found anything.  Has anybody done
 anything in this area?  Does anybody know of computational studies of any
 kind on quaternary ammonium salts?  Include MM / MD calculations or
 references of any kind.  Please send them to me directly at either:
 edmund' at \`chem1.chem.hamptonu.edu or
 	egelndip' at \`series2000.com.
 I will summarize to the list any replies received.
 A second area of interest is theoretical studies of hyperpolarizabilities
 and non linear optical properties of azobenzenes and polymers.  I need
 information on programs used - freeware or relatively inexpensive software
 for Powermacs and PC's; benchmark references, and conformational analysis.
 My need for information in both these areas is urgent.  Thanks to all in
 advance for the assistance.
 Sincerely
 Edmund Moses N. Ndip, Ph.D.
 Assistant Professor of Chemistry
 Chemistry Department
 School of Science
 Hampton University
 Hampton, VA 23668