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CCL
October 17, 2008
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From:
Jozsef Csontos <jcsontos.lists##gmail.com>
Date:
Fri, 17 Oct 2008 09:53:32 +0200
Subject:
CCL:G: Counterpoise Calculations in G03
From:
Arthur <computationalboy(!)gmail.com>
Date:
Fri, 17 Oct 2008 15:59:01 +0800
Subject:
CCL: molecular modeling of copper (II) coordination complex
From:
"Martin Bohl" <martin]_[moldiscovery.com>
Date:
Fri, 17 Oct 2008 05:34:44 -0400
Subject:
CCL: Molecular Discovery: Cytochrome P450 Consortium
From:
"Senthil Natesan" <sen.natesan^_^yahoo.com>
Date:
Fri, 17 Oct 2008 11:49:46 -0400
Subject:
CCL: Problem in Qsite (Schrodinger) Calculation
From:
"Youzhao Lan" <lyzhao*_*zjnu.cn>
Date:
Fri, 17 Oct 2008 03:23:05 -0400
Subject:
CCL:G: A problem about the CI expansion coefficients
From:
"Nand Ng" <andyng111^hotmail.com>
Date:
Fri, 17 Oct 2008 13:11:23 -0400
Subject:
CCL: imaginary part of density matrix
From:
Keith Refson <krefson++googlemail.com>
Date:
Fri, 17 Oct 2008 16:27:47 +0100
Subject:
CCL: augmented charge density in Ultra Soft Pseodopotentials .. can someone explain ?
From:
<willsd]![appstate.edu>
Date:
Thu, 16 Oct 2008 21:37:11 GMT
Subject:
CCL:G: Overtone anharmonicities and anharmonic frequencies from Gaussian.
From:
"Curt M. Breneman" <brenec ~ rpi.edu>
Date:
Fri, 17 Oct 2008 14:49:12 -0400
Subject:
CCL: October 20th (Monday) Final Deadline Reminder: Invitation to submit to "Nanomaterials Modeling and Informatics" at ACS Salt Lake City
From:
"Chongwen zhou" <cwzhou2008 _ gmail.com>
Date:
Thu, 16 Oct 2008 17:50:29 -0400
Subject:
CCL:G: Error in calculating the single point energy with molpro
From:
"chongwen zhou" <cwzhou2008]^[gmail.com>
Date:
Fri, 17 Oct 2008 13:41:03 -0400
Subject:
CCL:G: Error in calculating the single point energy with molpro