From owner-chemistry <-at-> ccl.net Thu Sep 26 11:58:12 1996 Received: from bedrock.ccl.net for owner-chemistry ( ( at ) ) ccl.net by www.ccl.net (8.7.5/950822.1) id LAA07127; Thu, 26 Sep 1996 11:40:27 -0400 (EDT) Received: from condor.CC.UMontreal.CA for siroiss -AatT- CHIMCN.UMontreal.CA by bedrock.ccl.net (8.7.6/950822.1) id LAA24814; Thu, 26 Sep 1996 11:40:26 -0400 (EDT) Received: from chims1.CHIMCN.UMontreal.CA (chims1.CHIMCN.UMontreal.CA [132.204.11.106]) by condor.CC.UMontreal.CA with ESMTP id PAA11170 (8.6.11/IDA-1.6 for ); Thu, 26 Sep 1996 15:38:30 GMT Received: by chims1.CHIMCN.UMontreal.CA (950215.SGI.8.6.10/5.17) id LAA18079; Thu, 26 Sep 1996 11:40:21 -0400 From: siroiss %-% at %-% CHIMCN.UMontreal.CA (Sirois Suzanne) Message-Id: <199609261540.LAA18079 %-% at %-% chims1.CHIMCN.UMontreal.CA> Subject: Malonaldehyde To: chemistry $#at#$ ccl.net Date: Thu, 26 Sep 1996 11:40:20 -0400 (EDT) Dear Netters, I'm looking for the bes post-HF and DFT calculations of malonaldehyde (structural parameters, vibrational analysis and internal proton transfer energy barrier). Thanks, ************************************************* * Dr. Suzanne Sirois * * Office CERCA * * Theoretical Chemistry Groups * * Department of Chemistry * * University of Montreal * * C.P. 6128, Succ Centre-Ville * * Montreal, Quebec H3C 3J7 * * Canada * * * * tel: (514) 369-5228 * * Fax (514) 369-3880 * * e-mail: siroiss;at;cerca.umontreal.ca * * e-mail: siroiss $#at#$ chimcn.umontreal.ca * * fax: (514) 343-2468 * *************************************************