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CCL
August 22, 2003
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From:
Sheng Cai <scai$at$umich.edu>
Date:
Fri, 22 Aug 2003 12:21:05 -0400 (EDT)
Subject:
curvilinear step not converged in G98
From:
noel.oboyle2^at^mail.dcu.ie
Date:
Fri, 22 Aug 2003 09:11:30 +0100
Subject:
RE: CCL:software for extracting first solvent shell
From:
Roel Hoefnagels <roelh^at^uia.ua.ac.be>
Date:
Fri, 22 Aug 2003 15:53:23 +0200
Subject:
casscf one elctron symbolic density matrix
From:
Konstantin Poptodorov <konstantin|at|accelrys.com>
Date:
Fri, 22 Aug 2003 10:48:16 +0000
Subject:
7th European Catalyst User Group Meeting
From:
"Grady Scott Weston" <gscottweston<<at>>hotmail.com>
Date:
Fri, 22 Aug 2003 10:35:02 -0700
Subject:
Spartan vs. Jaguar for DFT
From:
"Martijn Zwijnenburg" <M.A.Zwijnenburg=at=tnw.tudelft.nl>
Date:
Fri, 22 Aug 2003 20:02:41 +0200
Subject:
ccl: TD/G98 and CIS wavefunction symmetry could not be determined.
From:
"William Wei" <william.wei=at=utoronto.ca>
Date:
Fri, 22 Aug 2003 13:42:59 -0500
Subject:
Open Babel with g98
From:
Ian Hovell <HOVELL-.at.-cetem.gov.br>
Date:
Fri, 22 Aug 2003 14:53:42 -0300
Subject:
CCL: MP2 Freq memory problem
From:
"Ferber, Steven D" <sferber!at!howard.edu>
Date:
Fri, 22 Aug 2003 15:33:41 -0400
Subject:
re: CCL:curvilinear step not converged in G98
From:
Fan.Huajun/at/epamail.epa.gov
Date:
Fri, 22 Aug 2003 18:31:38 -0400
Subject:
calculated H-Bond energy