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CCL
December 15, 1997
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An archive of computation chemistry related software
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Collections of faq's and other documentation for various different programs
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From:
Adi Treasurywala <adit -AatT- extreme.chem.rpi.edu>
Date:
Thu, 04 Dec 1997 08:09:33 -0500
Subject:
Phosphate/sulfate bioisosterism.
From:
Andy Jennings <jenninaj ^at^ mh.uk.sbphrd.com>
Date:
Thu, 4 Dec 1997 14:01:42 +0000 (GMT)
Subject:
Re.HyperChem: Incorrect geometries in amines..enough is enough
From:
<fredvc[ AT ]esalp1.dnet.dupont.com>
Date:
Thu, 4 Dec 97 10:51:36 EST
Subject:
RE: CCL: 1000 MOST-CITED CHEMISTS
From:
Chris Harwell <charwel - at - chrs1.chem.lsu.edu>
Date:
Thu, 4 Dec 1997 10:45:07 -0600 (CST)
Subject:
SUMMARY of Beowulf for chemistry
From:
Richard Gillilan <richard &$at$& TC.Cornell.EDU>
Date:
Thu, 04 Dec 1997 12:42:39 -0500
Subject:
Re: CCL:HyperChem: Incorrect geometries in amines
From:
<mclark[ AT ]smtpgwy.isinet.com>
Date:
Thu, 4 Dec 1997 14:37:15 -0500
Subject:
Re: CCL:G:Lists and Noble Prizes
From:
<SALVATORE.PROFETA.JR (+ at +) monsanto.com>
Date:
04 Dec 1997 11:08:20 -0600
Subject:
Re: CCL:G:MJS Dewar died October 10
From:
Steve Williams <willsd (+ at +) conrad.appstate.edu>
Date:
Fri, 05 Dec 1997 13:41:53 -0500
Subject:
GAMESS freq calculation error
From:
Laurence Lavelle <lavelle \\at// mbi.ucla.edu>
Date:
Sun, 07 Dec 1997 02:03:02 -0800
Subject:
Which is faster Direct SCF or Non-Direct SCF
From:
Laurence Lavelle <lavelle $#at#$ mbi.ucla.edu>
Date:
Mon, 08 Dec 1997 17:36:05 -0800
Subject:
All-electron basis set higher than 3-21G* for Ni.
From:
"David Maxwell" <DMaxwell %-% at %-% tbc.com>
Date:
Tue, 09 Dec 1997 12:43 -0600
Subject:
CCL: Conformational preference of N,N'-dimethyl urea
From:
Andrey V Khavryutchenko <akhavr : at : compchem.kiev.ua>
Date:
09 Dec 1997 23:10:08 +0200
Subject:
Titanium and iron parameters for semiempirical methods
From:
Mark Thompson <mathomps -8 at 8- u.washington.edu>
Date:
Wed, 10 Dec 1997 22:39:25 -0800 (PST)
Subject:
C version of LAPACK and multithreading
From:
"Thomas R. Cundari" <tcundari (+ at +) msuvx2.memphis.edu>
Date:
Thu, 11 Dec 1997 11:31:20 -0600
Subject:
OLE automation of Chem3D Plus (PC version)
From:
Peter Tieleman <P.Tieleman $#at#$ chem.rug.nl>
Date:
Mon, 15 Dec 1997 19:40:26 +0100
Subject:
continuous distributions of relaxation time
From:
joe -8 at 8- mickey.chem.luc.edu (Joseph S Brunzelle)
Date:
Mon, 15 Dec 1997 12:32:12 -0600
Subject:
Re: uv software
From:
Willie Cui <info' at 'microsimulations.com>
Date:
Mon, 15 Dec 1997 20:17:34 -0800
Subject:
Re: CCL:Re: CCL:G:MJS Dewar died October 10