Subject: radical cations in solution

From: Jenny <[email-masked]>
Date: Wed, 27 Nov 1996 19:05:25 +0100

Dear CCLers,

I am interested in the calculation of  minimum energy conformations of a
radical cation (17 heavy atom: C, O, N) in solution (water).
Can continuum solvation models be used to  investigate geometries and
relative energies of different conformers?
Is AMSOL a good choice?

Please, reply directly to me ([email-masked]). I will
summarize the answers for the CCL.

Thank you in advance
and best regards,

Jenny
Jenny Migliavacca
Institut de Chimie Therapeutique
Ecole de Pharmacie
Universite de Lausanne                    
CH-1015 Dorigny-Lausanne
Tel:	 021 / 692.45.29
Fax: 	021 / 692.45.05
Email:	[email-masked]