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CCL
November 18, 2003
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An archive of computation chemistry related software
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From:
"S. I. Gorelsky" <gorelsky.-at-.stanford.edu>
Date:
Mon, 17 Nov 2003 13:35:42 -0800
Subject:
Partial density of states plots
From:
David van der Spoel <D.van.der.Spoel[at]chem.rug.nl>
Date:
Mon, 17 Nov 2003 22:31:10 +0100
Subject:
opteron performance
From:
John Lee <g03[at]joyie.com>
Date:
Mon, 17 Nov 2003 13:50:37 -0800
Subject:
scaling factor for B3LYP/6-311++G**
From:
Stephen Bowlus <chezbowlus~at~goldrush.com>
Date:
Mon, 17 Nov 2003 12:40:26 -0800
Subject:
CCL:How to calculate the Verloop STERIMOL parameters?
From:
"Jens Spanget-Larsen" <spanget<<at>>virgil.ruc.dk>
Date:
Tue, 18 Nov 2003 11:46:29 +0100
Subject:
Re: CCL:scaling factor for B3LYP/6-311++G**
From:
Connie Chang <cc236~at~cornell.edu>
Date:
Tue, 18 Nov 2003 14:08:34 -0500
Subject:
CCL: G03 and negative frequencies
From:
"Olga Dmitrenko" <odmitr{at}UDel.Edu>
Date:
Tue, 18 Nov 2003 13:32:56 -0500
Subject:
Re:imaginary frequencies in cycloaddition's TS
From:
"Liuming Yan" <yanli:at:engr.sc.edu>
Date:
Tue, 18 Nov 2003 13:12:54 -0500
Subject:
Textbook of Fortan 95!
From:
Hatice Can <alphacan2000$at$yahoo.com>
Date:
Tue, 18 Nov 2003 04:49:20 -0800 (PST)
Subject:
Free Fortran code for Radial Distribution Function
From:
Wai-To Chan <chan*at*curl.gkcl.yorku.ca>
Date:
Tue, 18 Nov 2003 02:49:47 -0500 (EST)
Subject:
imaginary frequencies in cycloaddition's TS
From:
Ohyun Kwon <ok16=at=mail.gatech.edu>
Date:
Tue, 18 Nov 2003 15:01:01 -0500 (EST)
Subject:
energy decomposition method
From:
"Tapas Kar" <tapaskar(at)cc.usu.edu>
Date:
Tue, 18 Nov 2003 13:47:54 -0700
Subject:
RE: energy decomposition method
From:
Lorant Janosi <lj8q5(at)mizzou.edu>
Date:
Tue, 18 Nov 2003 15:43:59 -0600
Subject:
ZINDO method related questions