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Up Directory CCL March 27, 1997

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

From:  antonio -AatT- 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 - at - 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 : at : 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