From:	"Dr. Heinz Schiffer" <schiffer # - at - # h1tw0036.hoechst.com>
Date:	Thu, 27 Mar 1997 09:10:57 +0100
Subject:	DFT vs. HF (Vib.Freq.)

From:	joubert "at@at" ext.jussieu.fr (Laurent Joubert)
Date:	Thu, 27 Mar 1997 10:15:00 +0200
Subject:	Molnff 2.0

From:	<Geoffrey "-at-" averell.umh.ac.be>
Date:	Thu, 27 Mar 1997 13:52:19 +0100 (NFT)
Subject:	Summary of the coordinates of Ru(bpy)23+

From:	Yun Tang <yun.tang (+ at +) csb.ki.se>
Date:	Thu, 27 Mar 1997 15:08:12 +0100
Subject:	How to prevent protein moving during dynamics?

From:	jtgolab -x- at -x- amoco.com (Joe Golab)
Date:	Thu, 27 Mar 1997 08:10:01 -0600
Subject:	IRIX 6.2+ and MSC's XMOL

From:	antonio' at 'linus.qui.ub.es (Antonio Buljan)
Date:	Thu, 27 Mar 1997 14:36:10 -0800 (PST)
Subject:	analytical gradient

From:	dsmith : at : CTCnet.Net (Douglas A. Smith Ph.D.)
Date:	Thu, 27 Mar 1997 09:30:48 -0500
Subject:	Re: CCL:DFT vs. HF (Vib. Freq.)

From:	"Dr. Rudolf Herrmann" <rherrman-0at0-nucleus.org.chemie.tu-muenchen.de>
Date:	Thu, 27 Mar 1997 16:41:15 GMT
Subject:	CCL:Summary:Experiences with Q-Chem?

From:	"Andrew Dalke" <dalke -8 at 8- ks.uiuc.edu>
Date:	Thu, 27 Mar 1997 12:01:14 -0600
Subject:	Re: CCL:IRIX 6.2+ and MSC's XMOL

From:	"Jason Lye" <jlye : at : unity.ncsu.edu>
Date:	Thu, 27 Mar 1997 14:28:29 -0500
Subject:	RE:ZINDO Energy Units

From:	takasima { *at * } indy.mol.taisho.co.jp (Hajime Takashima)
Date:	Fri, 28 Mar 1997 08:31:52 +0900
Subject:	Summary: large scale SCF calculation

From:	"Val Kulkov" <val<;at;>acdlabs.com>
Date:	Thu, 27 Mar 1997 22:15:29 -0500
Subject:	On pKa data and prediction

From:	Alexandre Hocquet <ahocquet $#at#$ tamarugo.cec.uchile.cl>
Date:	Thu, 27 Mar 1997 23:34:24 +0000
Subject:	A question about MM3 and IR calculations