Modelling electrochemical oxidations

[David Chalmers <david "at@at" wucmd.wustl.edu>]

 Hello all,
 I would like to investigate some electrochemical oxidations of small
 organic molecules (ideally) using Mopac or perhaps another semiempirical
 method. I would like to be able to predict the difficulty of oxidation in a
 series of similar molecules.  I would also like to be able to predict the
 site of oxidation in molecules that can be oxidized at several positions.
 Can anybody point me towards literature that describes this sort of study?
 If anybody has experience...are semiempirical methods good enough...or do
 you need to go to ab initio to get even qualitative results?
 Thanks
 David
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 David Chalmers				   		david "at@at" wucmd.wustl.edu
 Washington University					CMD:  +1 314 935 4672
 Center for Molecular Design		    		Lab:  +1 314 362 2515
 Lopata Hall, Box 1099			    		Fax:  +1 314 935 4979
 One Brookings Drive
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