CCL Home

Up Directory CCL May 24, 2004

Previous day Month index Next day

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