CCL Home

Up Directory CCL August 21, 2009

Previous day Month index Next day

From:  "Serdar Badošlu" <sbadoglu||gazi.edu.tr>
Date:  Fri, 21 Aug 2009 07:49:28 -0000
Subject:  CCL: ERROR FREQUENCY CALCULATIONS

From:  "Van Dam, Huub (STFC,DL,CSE)" <huub.van-dam/a\stfc.ac.uk>
Date:  Thu, 20 Aug 2009 23:46:16 +0100
Subject:  CCL: Gromacs Error

From:  Carlos Pereira <carlosps1985.:.gmail.com>
Date:  Fri, 21 Aug 2009 08:55:52 -0300
Subject:  CCL: ERROR FREQUENCY CALCULATIONS

From:  "Andreas Uhe" <andiuhe/./gmx.de>
Date:  Fri, 21 Aug 2009 04:32:59 -0400
Subject:  CCL:G: TS energy slightly lower than minimum energy

From:  "Tom de Greef" <t.f.a.d.greef[a]tue.nl>
Date:  Fri, 21 Aug 2009 04:37:19 -0400
Subject:  CCL:G: TDDFT problem

From:  Sebastian Kozuch <kozuchs]|[yahoo.com>
Date:  Fri, 21 Aug 2009 09:15:01 -0700 (PDT)
Subject:  CCL:G: TS energy slightly lower than minimum energy

From:  Johannes Johansson <johjo76^gmail.com>
Date:  Fri, 21 Aug 2009 20:24:46 +0200
Subject:  CCL:G: TS energy slightly lower than minimum energy

From:  "Kalju Kahn" <kalju/a\chem.ucsb.edu>
Date:  Fri, 21 Aug 2009 13:32:21 -0700
Subject:  CCL: Atomic Oxygen 3P starting to make sense

From:  Gerald Knizia <knizia:-:theochem.uni-stuttgart.de>
Date:  Fri, 21 Aug 2009 22:00:46 +0200
Subject:  CCL:G: Triplet (3P) Oxygen HF energy lower than the reported HF limit?

From:  Gerald Knizia <knizia+*+theochem.uni-stuttgart.de>
Date:  Sat, 22 Aug 2009 01:57:45 +0200
Subject:  CCL: Atomic Oxygen 3P starting to make sense