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June 25, 2012
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From:
"indu kaul" <indu.chem.mind86*o*gmail.com>
Date:
Mon, 25 Jun 2012 06:12:16 -0400
Subject:
CCL: Regarding geometry optimization of transition metal systems in NWChem
From:
=?ISO-8859-1?Q?Gregorio_Garc=EDa_Moreno?= <gjgarcia]_[ujaen.es>
Date:
Mon, 25 Jun 2012 14:25:23 +0200
Subject:
CCL: See Molecular orbitals shape to high layer in a ONIOM calculation
From:
"DeJong, Wibe A" <Wibe.DeJong#,#pnnl.gov>
Date:
Mon, 25 Jun 2012 09:32:07 -0700
Subject:
CCL: Regarding geometry optimization of transition metal systems in NWChem
From:
Eric Scerri <scerri(-)chem.ucla.edu>
Date:
Mon, 25 Jun 2012 08:08:53 -0700
Subject:
CCL:G: The aufbau principle in teaching chemistry