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CCL
July 11, 2007
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From:
Dan Maftei <dan.maftei%%chem.uaic.ro>
Date:
Tue, 10 Jul 2007 16:50:20 +0300
Subject:
CCL:G: Visualizing vibrational data
From:
Gijs Schaftenaar <schaft###cmbi.ru.nl>
Date:
Tue, 10 Jul 2007 20:39:55 +0200 (CEST)
Subject:
CCL: Visualizing vibrational data
From:
Ulrike Salzner <salzner(_)fen.bilkent.edu.tr>
Date:
Wed, 11 Jul 2007 10:07:59 +0300
Subject:
CCL:G: large NBO E2 energy values for antibonding-antibonding interactions
From:
"Caroline Norris" <cn29*sussex.ac.uk>
Date:
Wed, 11 Jul 2007 06:16:25 -0400
Subject:
CCL: CASSCF symmetry
From:
"T. Daniel Crawford" <crawdad##exchange.vt.edu>
Date:
Tue, 10 Jul 2007 21:03:10 -0400
Subject:
CCL:G: G03: Negative eigenvalue, but no imaginary frequencies
From:
"fdu.xiaojf- -gmail.com" <fdu.xiaojf- -gmail.com>
Date:
Tue, 10 Jul 2007 22:44:49 +0800
Subject:
CCL: Where to find Lennard-Jones 6-12 potential parameters ?
From:
<DSprous(!)redpointbio.com>
Date:
Tue, 10 Jul 2007 12:22:40 -0400
Subject:
CCL: Converting structures to IUPAC names
From:
"xiaojf=-=mail.shcnc.ac.cn" <xiaojf=-=mail.shcnc.ac.cn>
Date:
Wed, 11 Jul 2007 19:02:36 +0800
Subject:
CCL: Where to find Lennard-Jones 6-12 potential parameters ?
From:
Stephen.Garrison[A]srnl.doe.gov
Date:
Wed, 11 Jul 2007 10:26:26 -0400
Subject:
CCL:G: G03: Negative eigenvalue, but no imaginary frequencies
From:
"Yuan Zhao" <ccl###mail.sioc.ac.cn>
Date:
Wed, 11 Jul 2007 10:39:42 -0400
Subject:
CCL: Where to find FDA drug database
From:
"Abdul Hameed, MohamedDiwanMo" <mabdu3++email.uky.edu>
Date:
Wed, 11 Jul 2007 12:20:37 -0400
Subject:
CCL: Where to find FDA drug database
From:
Brian Williams <williams[A]bucknell.edu>
Date:
Wed, 11 Jul 2007 11:29:17 -0400
Subject:
CCL: Where to find Lennard-Jones 6-12 potential parameters ?
From:
<DSprous|redpointbio.com>
Date:
Wed, 11 Jul 2007 13:08:24 -0400
Subject:
CCL: Where to find FDA drug database
From:
"Raji Raji" <raji()anal.chem.tohoku.ac.jp>
Date:
Wed, 11 Jul 2007 22:58:48 -0400
Subject:
CCL:G: G03-TDDFT error termination