CCL Home

Up Directory CCL May 19, 2004

Previous day Month index Next day

From:  Yunfeng Hu <yunfeng[at]scripps.edu>
Date:  Tue, 18 May 2004 09:59:02 -0700
Subject:  wierd gaussian output

From:  "Matthias Drexler" <CluelessPlanewalker~at~gmx.net>
Date:  Tue, 18 May 2004 15:08:25 +0200
Subject:  CCL: Molecular orbital coefficients

From:  "Matthias Drexler" <CluelessPlanewalker~at~gmx.net>
Date:  Tue, 18 May 2004 14:48:49 +0200
Subject:  CCL: LACVP* basis set in gaussian

From:  skpang{at}ctimail.com
Date:  Wed, 19 May 2004 00:06:41 +0800 (HKT)
Subject:  How to relate the electric field gradient, surface charge and potential in PCM

From:  "muneerah" <mmogren_at_ksu.edu.sa>
Date:  Tue, 18 May 2004 23:09:12 +0300
Subject:  Normal coordinate analysis program

From:  Andreas Serr <andreas.serr)at(uni-bielefeld.de>
Date:  Wed, 19 May 2004 10:38:49 +0200
Subject:  WG: CCL:Molecular orbital coefficients

From:  Ian Hovell <HOVELL$at$cetem.gov.br>
Date:  Wed, 19 May 2004 09:32:56 -0300
Subject:  CCL: Assigning basis set atom by atom

From:  "Noel O'Boyle" <noel.oboyle2)at(mail.dcu.ie>
Date:  Wed, 19 May 2004 13:29:53 +0100
Subject:  Gaussian MSK charges

From:  Bartolomeo Civalleri <bartolomeo.civalleri)at(unito.it>
Date:  Wed, 19 May 2004 12:47:22 +0200
Subject:  Slab calculations

From:  "LEDM (Leonardo De Maria)" <ledm!at!novozymes.com>
Date:  Wed, 19 May 2004 13:50:28 +0200
Subject:  CCL: 2D and 3D QSAR software

From:  Joe M Leonard <jle$at$world.std.com>
Date:  Wed, 19 May 2004 08:06:49 -0400 (EDT)
Subject:  Question regarding Mac G5 performance

From:  trinh thuat <trinhthanhthuat$at$yahoo.com>
Date:  Wed, 19 May 2004 07:15:23 -0700 (PDT)
Subject:  NBO or AIM for metal-metal !

From:  Ian Hovell <HOVELL<<at>>cetem.gov.br>
Date:  Wed, 19 May 2004 13:00:10 -0300
Subject:  CCL:Assigning basis set atom by atom - Summary

From:  Mike McCallum <mmccallum(at)pacific.edu>
Date:  Wed, 19 May 2004 10:49:14 -0700
Subject:  Re: CCL:Question regarding Mac G5 performance

From:  Ohyun Kwon <ok16*at*mail.gatech.edu>
Date:  Wed, 19 May 2004 12:32:38 -0400 (EDT)
Subject:  transition dipole moment by TDDFT

From:  "Gustavo Seabra" <seabra*at*ksu.edu>
Date:  Wed, 19 May 2004 11:19:15 -0500
Subject:  Orbital visualization

From:  "Shobe, David" <dshobe.-at-.sud-chemieinc.com>
Date:  Wed, 19 May 2004 13:28:42 -0400
Subject:  RE: Gaussian MSK charges

From:  Baoqiang Cao <bqcao|at|physics.uc.edu>
Date:  Wed, 19 May 2004 11:46:49 -0400
Subject:  The hydrophocities for 20 amino acids

From:  Richard Gillilan <reg8:at:cornell.edu>
Date:  Wed, 19 May 2004 15:40:01 -0400
Subject:  Workshop: Computational Methods in Crystallography

From:  Daniel Glossman Mitnik <dglossman(at)prodigy.net.mx>
Date:  Wed, 19 May 2004 08:51:12 -0600
Subject:  CCL: O3LYP functional in Gaussian 03