From jstewart@fujitsu.fai.com  Thu Mar 17 11:47:04 1994
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Date: Thu, 17 Mar 94 08:19:07 PST
From: jstewart@fai.com (Dr. James Stewart)
Message-Id: <9403171619.AA01622@fujitsu.fai.com>
To: chemistry@ccl.net
Subject: MOPAC 7 and MOPAC 93


Kay Kreidler asks: 

> What are the differences between MOAPC 7.0 and MOAPC93? I thought, you can
> calculate pKa-values with MOPAC 7.0, but we got a copy by QCPE and it
> seems, that this is not true. Does anyone know, how to get MOAPC93 and
> what its price is (I think it's commercial).
>  

To reiterate:

MOPAC 7 is public domain software.
MOPAC 93 is copyrighted software.
MOPAC 7 is intended for use by software developers ONLY.
        It is NOT intented to be used in production work.
Both MOPAC 7 and MOPAC 93 can be obtained through the QCPE.
MOPAC 7 is available at the standard QCPE cost.
MOPAC 93 is available at the standard QCPE cost for non-profit organizations
(academic institutions, for example).
MOPAC 93 is available for $2,000 to profit making orgainizations.

pKa can be calculated by both MOPAC 7 and MOPAC 93.
pKa is calculated using the COSMO solvation model.



Everyone who gets MOPAC 93 must sign an end-user agreement.

James J. P. Stewart