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CCL
September 19, 2005
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An archive of computation chemistry related software
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Collections of data sets of use to computational chemists
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Collections of faq's and other documentation for various different programs
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From:
Mark Thompson <mark||arguslab.com>
Date:
Sun, 18 Sep 2005 19:30:19 -0700
Subject:
CCL: W:ChemScore
From:
Marcel Swart <m.swart[#]few.vu.nl>
Date:
Mon, 19 Sep 2005 09:27:44 +0200
Subject:
CCL: spin contamination and S**2
From:
Alexander Martins Silva <alex.msilva|"|uol.com.br>
Date:
Mon, 19 Sep 2005 09:29:00 -0300
Subject:
CCL: make: *** [g98] Error 2
From:
"Tomasz Grabarkiewicz" <grabar : man.poznan.pl>
Date:
Mon, 19 Sep 2005 14:48:32 +0200
Subject:
CCL: Gaussian - partial optimization
From:
"Xavier ASSFELD" <Xavier.Assfeld()cbt.uhp-nancy.fr>
Date:
Mon, 19 Sep 2005 09:01:31 +0200
Subject:
CCL: spin contamination and S**2
From:
Joslyn Y Kravitz <jyudenfr[]umich.edu>
Date:
Mon, 19 Sep 2005 10:12:35 -0400 (EDT)
Subject:
CCL: Gaussian - partial optimization
From:
Mikael Johansson <mikael.johansson:+:helsinki.fi>
Date:
Mon, 19 Sep 2005 17:21:55 +0300 (EEST)
Subject:
CCL: Winter School in Theoretical Chemistry, "Nanophotonics"
From:
Ramon Crehuet <rcsqtc() iiqab.csic.es>
Date:
Mon, 19 Sep 2005 16:36:43 +0200
Subject:
CCL: Problem freezing atoms with gaussian
From:
John McKelvey <jmmckel%a%attglobal.net>
Date:
Mon, 19 Sep 2005 12:20:43 -0500
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
"Shobe, David" <dshobe\a/sud-chemieinc.com>
Date:
Mon, 19 Sep 2005 11:50:02 -0400
Subject:
CCL: Gaussian - partial optimization
From:
Ben Sattelle <ben.sattelle:+:postgrad.manchester.ac.uk>
Date:
Mon, 19 Sep 2005 17:37:44 +0100
Subject:
CCL: Problem freezing atoms with gaussian
From:
"d w" <wangdq2100|"|hotmail.com>
Date:
Mon, 19 Sep 2005 14:11:36 +0000
Subject:
CCL: Gaussian - partial optimization
From:
"d w" <wangdq2100:_:hotmail.com>
Date:
Mon, 19 Sep 2005 14:23:03 +0000
Subject:
CCL: spin contamination and S**2
From:
"Ding Xunlei" <dxl##ustc.edu.cn>
Date:
Mon, 19 Sep 2005 21:59:52 +0800
Subject:
CCL: delta-scf and TDDFT
From:
"Ivanciuc, Ovidiu I." <oiivanci!A!UTMB.EDU>
Date:
Mon, 19 Sep 2005 14:03:36 -0500
Subject:
CCL: W:Disclose your data, or not publish !
From:
Andrew Fant <fant[#]pobox.com>
Date:
Mon, 19 Sep 2005 14:30:53 -0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
Rick Venable <rvenable^^^pollux.cber.nih.gov>
Date:
Mon, 19 Sep 2005 15:53:03 -0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
John McKelvey <jmmckel++attglobal.net>
Date:
Mon, 19 Sep 2005 21:03:39 -0500
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
Daniel Macks <dmacks]-[netspace.org>
Date:
Mon, 19 Sep 2005 17:32:11 -0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++