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CCL
July 10, 2007
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An archive of computation chemistry related software
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From:
"Noel M O Boyle" <baoilleach . gmail.com>
Date:
Tue, 10 Jul 2007 03:29:48 -0400
Subject:
CCL: ANN: openbabel-python 1.2.1 for Windows
From:
makowskm_._chemia.uj.edu.pl
Date:
Mon, 9 Jul 2007 14:24:22 +0200 (CEST)
Subject:
CCL:G: Nuclear repulsion energy
From:
Dhurairaj Senthilnathan <zenthil03##yahoo.co.in>
Date:
Mon, 9 Jul 2007 08:13:22 +0100 (BST)
Subject:
CCL:G: Frequency symmetry problem
From:
Jerome Kieffer <jerome.Kieffer]_[terre-adelie.org>
Date:
Tue, 10 Jul 2007 08:26:16 +0200
Subject:
CCL:G: Visualizing vibrational data
From:
"Soren Eustis" <soren!=!jhu.edu>
Date:
Mon, 9 Jul 2007 22:33:37 -0400
Subject:
CCL: Visualizing vibrational data
From:
allouche <allouche~~lasim.univ-lyon1.fr>
Date:
Tue, 10 Jul 2007 13:55:08 +0200
Subject:
CCL: Visualizing vibrational data
From:
<ss537#%#drexel.edu>
Date:
Tue, 10 Jul 2007 08:20:36 -0400
Subject:
CCL: Visualizing vibrational data
From:
Stephen.Garrison+/-srnl.doe.gov
Date:
Tue, 10 Jul 2007 10:21:58 -0400
Subject:
CCL:G: G03: Negative eigenvalue, but no imaginary frequencies
From:
Andrew Orry <andy---molsoft.com>
Date:
Mon, 09 Jul 2007 17:53:40 -0700
Subject:
CCL: MolSoft ICM Workshop - Protein Structure and Drug Discovery - September 2007
From:
"Yingbin Ge" <yingbin.ge*|*gmail.com>
Date:
Tue, 10 Jul 2007 12:27:02 -0500
Subject:
CCL:G: G03: Negative eigenvalue, but no imaginary frequencies
From:
"Abrash, Samuel" <sabrash/a\richmond.edu>
Date:
Tue, 10 Jul 2007 10:55:41 -0400
Subject:
CCL:G: Appropriateness of G3 (G3MP2) Theory for Vertical Ionization Energies
From:
Xiaobing Feng <sxopowo**yahoo.co.uk>
Date:
Tue, 10 Jul 2007 16:20:28 +0100 (BST)
Subject:
CCL: Free Linux graphics software for viewing strucuture of molecules and wavefunction
From:
John Merle <jkmerle . yahoo.com>
Date:
Tue, 10 Jul 2007 11:11:36 -0700 (PDT)
Subject:
CCL:G: G03: Negative eigenvalue, but no imaginary frequencies
From:
"Reynier Suardiaz" <reynier.suardiaz=-=gmail.com>
Date:
Tue, 10 Jul 2007 15:53:26 -0400
Subject:
CCL:G: large NBO E2 energy values for antibonding-antibonding interactions
From:
"Soren Eustis" <soren]^[jhu.edu>
Date:
Tue, 10 Jul 2007 15:42:16 -0400
Subject:
CCL:G: Appropriateness of G3 (G3MP2) Theory for Vertical Ionization Energies
From:
Cory Pye <cpye]~[crux.smu.ca>
Date:
Tue, 10 Jul 2007 18:26:04 -0300 (ADT)
Subject:
CCL:G: Appropriateness of G3 (G3MP2) Theory for Vertical Ionization Energies
From:
"Lukasz Cwiklik" <cwiklik###gmail.com>
Date:
Wed, 11 Jul 2007 01:59:56 +0200
Subject:
CCL:G: Free Linux graphics software for viewing strucuture of molecules and wavefunction
From:
"Vlad" <vvv900() anusf.anu.edu.au>
Date:
Wed, 11 Jul 2007 11:39:36 +1000
Subject:
CCL:G: Free Linux graphics software for viewing strucuture of molecules and wavefunction