Subject: Protonation enthalpies

From: "Mary O'Connor" <[email-masked]>
Date: Tue, 18 Jul 2000 12:34:57 -0400

Dear CCLers
        I would appreciate any advice on how to calculate protonation
enthalpies from ab initio calculations. Does AM1 work for molecules
containing halogens? Thank-you for any help you can give me.

Mary O'Connor
Rutgers University
New Brunswick, NJ