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CCL
November 22, 2009
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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:
qiancheng shen <qianchengshen|*|gmail.com>
Date:
Sun, 22 Nov 2009 11:37:21 +0800
Subject:
CCL: How can I find the HOMO from the MOPAC output??
From:
irfan ahmad <irfaahmad[-]gmail.com>
Date:
Sun, 22 Nov 2009 01:43:19 +0800
Subject:
CCL: Which program to optimize the crystal structure of transition metal complex?
From:
"YZ Lan" <lyzhao|-|zjnu.cn>
Date:
Sun, 22 Nov 2009 03:13:32 -0500
Subject:
CCL: Two questions about the nonlinear optical property
From:
ilke ugur <ilke_ugur . yahoo.com>
Date:
Sat, 21 Nov 2009 04:47:20 -0800 (PST)
Subject:
CCL:G: solvent run with Gaussian 09
From:
Michel Petitjean <petitjean.chiral#gmail.com>
Date:
Sun, 22 Nov 2009 12:27:44 +0100
Subject:
CCL:G: chemoinformatics / a nomenclature challenge
From:
Yvonne Martin <yvonnecmartin]^[gmail.com>
Date:
Sat, 21 Nov 2009 10:54:29 -0500
Subject:
CCL: PLS implementation?
From:
"Wenli Zou" <zorkzou()gmail.com>
Date:
Sun, 22 Nov 2009 12:21:09 -0500
Subject:
CCL:G: different contraction coefficients of basis set
From:
"Tristan Youngs" <t.youngs!A!qub.ac.uk>
Date:
Sun, 22 Nov 2009 16:57:00 -0000
Subject:
CCL: Which program to optimize the crystal structure of transition metal complex?
From:
"Niels Johan Christensen" <njc]~[life.ku.dk>
Date:
Sun, 22 Nov 2009 17:46:13 +0100
Subject:
CCL: Svar: CCL: PLS implementation?
From:
Andrey Bliznyuk <aab900- -gmail.com>
Date:
Sun, 22 Nov 2009 20:31:20 +1100
Subject:
CCL: Which program to optimize the crystal structure of transition metal complex?
From:
Pavle Mocilac <pavle.mocilac2(a)mail.dcu.ie>
Date:
Sun, 22 Nov 2009 17:30:49 +0000
Subject:
CCL:G: solvent run with Gaussian 09
From:
"Jose Alberto Fernandes" <jafernandes a ua.pt>
Date:
Sun, 22 Nov 2009 15:58:43 -0500
Subject:
CCL: Which program to optimize the crystal structure of transition metal complex?
From:
Kirk Peterson <kipeters*_*wsu.edu>
Date:
Sun, 22 Nov 2009 10:38:09 -0800
Subject:
CCL:G: different contraction coefficients of basis set
From:
Esteban Gabriel Vega Hissi <egvega*|*gmail.com>
Date:
Sun, 22 Nov 2009 15:05:07 -0400
Subject:
CCL:G: solvent run with Gaussian 09