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CCL
May 24, 2004
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From:
Eugen Leitl <eugen_at_leitl.org>
Date:
Mon, 24 May 2004 13:29:09 +0200
Subject:
Re: [Beowulf] CCL:Question regarding Mac G5 performance (fwd from landman_at_scalableinformatics.com)
From:
Kadir Diri <kadir/at/visual1.chem.pitt.edu>
Date:
Mon, 24 May 2004 03:13:02 -0400
Subject:
freezing atoms in frequency calculations
From:
"Muneerah" <mmogren!at!ksu.edu.sa>
Date:
Mon, 24 May 2004 14:05:33 +0300
Subject:
program for normal coordinate
From:
"humayun kabir" <kabir50!at!hotmail.com>
Date:
Mon, 24 May 2004 11:04:18 +0000
Subject:
DFT:optimization trouble
From:
Kim Branson <kim.branson!at!csiro.au>
Date:
Mon, 24 May 2004 11:29:38 +1000
Subject:
Re: CCL:using DOCK without sybil
From:
"Forlani Roberto" <roberto.forlani<<at>>nikemresearch.com>
Date:
Mon, 24 May 2004 11:10:45 +0200
Subject:
Keto-enol tautomerism studies
From:
Mathias Weigt <m.weigt^at^uni-bonn.de>
Date:
Mon, 24 May 2004 18:03:28 +0200
Subject:
Re: CCL:DFT:optimization trouble
From:
Daniel Singleton <singleton)at(mail.chem.tamu.edu>
Date:
Mon, 24 May 2004 12:20:11 -0500
Subject:
CCL: Re: DFT:optimization trouble
From:
"Dr. Daniel Glossman-Mitnik" <daniel.glossman..at..cimav.edu.mx>
Date:
Mon, 24 May 2004 11:56:19 -0600
Subject:
CCL: more questions about ONIOM in G03W
From:
Frank Jensen <frj<<at>>dou.dk>
Date:
Mon, 24 May 2004 20:09:07 +0200 (METDST)
Subject:
Re: CCL:[Beowulf] Question regarding Mac G5 performance (fwd from
From:
skpang(at)ctimail.com
Date:
Tue, 25 May 2004 00:31:41 +0800 (HKT)
Subject:
van der Waal's radius from Universal Force Field (UFF)
From:
"Yubo Fan" <yubofan*at*mail.chem.tamu.edu>
Date:
Mon, 24 May 2004 17:01:14 -0500
Subject:
reference for LANL2DZdp