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CCL
September 29, 2005
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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:
"Anthony J. H. M. Meijer" <a.meijer-,-sheffield.ac.uk>
Date:
Wed, 28 Sep 2005 19:50:12 +0100
Subject:
CCL: About compiling Gaussian98
From:
"Perry E. Metzger" <perry-x-piermont.com>
Date:
Thu, 29 Sep 2005 00:13:42 -0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
"Gisele deFreitas Gauze" <giselegauze()yahoo.com.br>
Date:
Thu Sep 29 01:11:00 2005
Subject:
CCL: W:Iodo NMR chemical shifts
From:
=?ISO-8859-1?Q?Reynier_Suardiaz_del_R=EDo?= <reynier_+_fq.uh.cu>
Date:
Wed, 28 Sep 2005 14:09:56 -0400
Subject:
CCL: NMR calculation
From:
Eric Scerri <scerri##chem.ucla.edu>
Date:
Wed, 28 Sep 2005 14:58:57 -0700
Subject:
CCL: Madelung or Klechkovski ?
From:
"Peter Spiro" <spiro(a)renovis.com>
Date:
Wed, 28 Sep 2005 16:46:51 -0700
Subject:
CCL: Open source contributions by pharma.
From:
janl]|[speakeasy.net
Date:
Thu, 29 Sep 2005 05:26:33 +0000
Subject:
CCL: Few more changes and tune-ups of CCL
From:
Eugen Leitl <eugen-,-leitl.org>
Date:
Thu, 29 Sep 2005 08:49:04 +0200
Subject:
CCL: Fortran vs. C - when will it end?
From:
john furr <john.furr-x-gmail.com>
Date:
Thu, 29 Sep 2005 05:16:50 -0400
Subject:
CCL: Open source contributions by pharma.
From:
"Alex. A. Granovsky" <gran#classic.chem.msu.su>
Date:
Thu, 29 Sep 2005 13:57:00 +0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
Sigismondo Boschi <s.boschi^^cineca.it>
Date:
Thu, 29 Sep 2005 10:17:17 +0200 (MEST)
Subject:
CCL: [CCL]: Cleaning up dusty deck fortran and converting to C/C++
From:
Egon Willighagen <e.willighagen===science.ru.nl>
Date:
Thu, 29 Sep 2005 13:32:37 +0200
Subject:
CCL: Open source contributions by pharma.
From:
Paul Fleurat-Lessard <Paul.Fleurat-Lessard:-:ens-lyon.fr>
Date:
Thu, 29 Sep 2005 09:33:38 +0200
Subject:
CCL: Madelung or Klechkovski ?
From:
"Dr. Ibrahim Noorbatcha" <ibrahiman""iiu.edu.my>
Date:
Thu, 29 Sep 2005 19:02:02 +0800
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
peter murray-rust <pm286^cam.ac.uk>
Date:
Thu, 29 Sep 2005 09:24:13 +0100
Subject:
CCL: Open source contributions by pharma.
From:
"Shobe, David" <dshobe/a\sud-chemieinc.com>
Date:
Thu, 29 Sep 2005 09:53:01 -0400
Subject:
CCL: W:Iodo NMR chemical shifts
From:
"Carlos Silva" <csilval%a%uvigo.es>
Date:
Thu Sep 29 09:40:01 2005
Subject:
CCL: W:Partial optimization in G03
From:
Steve Bowlus <chezbowlus;;goldrush.com>
Date:
Thu, 29 Sep 2005 06:18:20 -0700
Subject:
CCL: Fortran vs. C - when will it end?
From:
"Perry E. Metzger" <perry-$-piermont.com>
Date:
Thu, 29 Sep 2005 08:45:32 -0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
"Shobe, David" <dshobe---sud-chemieinc.com>
Date:
Thu, 29 Sep 2005 09:59:38 -0400
Subject:
CCL: NMR chemical shifts - STOs v. GTOs
From:
Anastassia Alexandrova <anastassia.alexandrova:+:yale.edu>
Date:
Thu, 29 Sep 2005 10:25:53 -0400
Subject:
CCL: Madelung or Klechkovski ?
From:
"Andreas Orthaber" <amdreas.orthaber-x-uni-graz.at>
Date:
Thu Sep 29 11:29:00 2005
Subject:
CCL: W:madelung and aufbau principle
From:
"Xavier ASSFELD" <Xavier.Assfeld!^!cbt.uhp-nancy.fr>
Date:
Thu, 29 Sep 2005 17:52:32 +0200
Subject:
CCL: Summary Madelung or Klechkovskii ?
From:
Ken Butenhof <kenb{}accelrys.com>
Date:
Thu, 29 Sep 2005 12:53:10 -0400
Subject:
CCL: Madelung or Klechkovski /Aufbau principle
From:
Mariusz Sterzel <msterzel^^buffalo.edu>
Date:
Thu, 29 Sep 2005 13:58:43 -0400 (EDT)
Subject:
CCL: NMR chemical shifts - STOs v. GTOs
From:
=?ISO-8859-1?Q?Reynier_Suardiaz_del_R=EDo?= <reynier""fq.uh.cu>
Date:
Thu, 29 Sep 2005 12:53:35 -0400
Subject:
CCL: NMR chemical shifts - STOs v. GTOs
From:
Rudolf Herrmann <rudolf.herrmann(-)physik.uni-augsburg.de>
Date:
Thu, 29 Sep 2005 19:11:23 +0200
Subject:
CCL: W:Iodo NMR chemical shifts
From:
"Ivanciuc, Ovidiu I." <oiivanci..[ AT ]..utmb.edu>
Date:
Thu, 29 Sep 2005 15:16:38 -0500
Subject:
CCL: overalying small molecules
From:
"Perry E. Metzger" <perry^-^piermont.com>
Date:
Thu, 29 Sep 2005 16:37:41 -0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
"Robert Duke" <rduke#%#email.unc.edu>
Date:
Thu, 29 Sep 2005 16:39:50 -0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++ - Wrap up
From:
"Alex. A. Granovsky" <gran---classic.chem.msu.su>
Date:
Fri, 30 Sep 2005 00:04:31 +0400
Subject:
CCL: Cleaning up dusty deck fortran and converting to C/C++
From:
"Richard Hull" <hull%a%axontologic.com>
Date:
Thu Sep 29 19:24:00 2005
Subject:
CCL: W:Identifying bridgehead atoms
From:
"Qing Shao" <shaoqingfly1981^^^gmail.com>
Date:
Thu Sep 29 21:26:00 2005
Subject:
CCL: W:How to represent a 2-D cell in tinker?