From jabs@chemie.uni-halle.dbp.de  Fri Dec  4 14:58:28 1992
Date:  Fri, 4 Dec 1992 13:58:28 +0100
From: jabs@chemie.uni-halle.dbp.de
Message-Id:  <921204135827*/S=jabs/OU=chemie/PRMD=UNI-HALLE/ADMD=DBP/C=DE/@MHS>
To: chemistry@ccl.net
Subject:  IR_MOPAC


Hi,

has anyboby experiences in the AM1/PM3 calculation of oligopeptides
and the correlation of calculated spectra with experimental data
especially for intra- and intermolecular hydrogen bonding ?

Andreas Jabs
M.-Luther-University
Department of Chemistry
Theoretical Chemistry Group
Weinbergweg 16
O-4020 Halle/Saale
PF 8
e-mail: c=de;a=dbp;p=uni-halle;o=chemie;s=jabs