Subject: Reaction Field Theory (Code)

From: Roberto Rivelino de Melo Moreno <[email-masked]>
Date: Mon, 20 May 1996 18:30:59 -0300 (GRNLNDST)

Dear Netters

	I would greatly like to get MOPAC version modified in 1989 by the 
Alan Katritzky's Group and publicated in the J. Org. Chem. 1989, which make 
quantitative predictions of tautomeric equilibria in aqueos solutions using 
AM1 with Reaction Field Teory.
 	Although MOPAC7 and MOPAC93 versions include COSMO and Tomasi 
solvent models, I'm intersted on the Onsager's model, even knowing that 
this model don't yelds much better results. However, such modified 
routines are very important to my work. Does anybody can help me ?

		Thank you in advance.

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*  Roberto R. M. Moreno                                ###           *   
*  Instituto de Fisica                                 ###           *
*  Universidade Federal da Bahia                      #####          *
*  Salvador - Ba, Brasil                             #######         *
*  ph:  (071) 237-3610                              #########        *
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*  e-mail: [email-masked]                       #############      *
*  http://www.ufba.br/                                               *
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