Subject: mixed parameters in semiempirical methods

From: Rick Loncharich <[email-masked]>
Date: Tue, 03 May 1994 15:26:44 -0500 (EST)

SUBJ:  mixed parameters in semiempirical methods

Douglas Smith and co-workers published a structural study of some
aromatic amines in which they document the hazards of using mixed
AM1-MNDO parameters.  (J. Comp. Chem.  1992, 13(5), 640-650.)

Has anyone else published on the hazards of using mixed parameters
in semi-empirical calculations?  I would appreciate any additional 
references that document the hazards of doing this.

Thanks

Rick Loncharich
internet:   [email-masked]

From: LONCHARICH RICHARD J          (MCVAX0::RX82788)

To:   FOREIGN TRANSPORT ADDRESSEE   (MCDEV1::IN%"[email-masked]")