From owner-chemistry@ccl.net Mon Mar  2 15:10:02 2009
From: "Richard Tia richtiagh a gmail.com" <owner-chemistry(a)server.ccl.net>
To: CCL
Subject: CCL: Transition states vrs reactants
Message-Id: <-38727-090302150508-17721-2RDTRT2msSiDENvGEGjzDA(a)server.ccl.net>
X-Original-From: "Richard  Tia" <richtiagh---gmail.com>
Date: Mon, 2 Mar 2009 15:05:03 -0500


Sent to CCL by: "Richard  Tia" [richtiagh~~gmail.com]
Hi everybody,

To those who have some experience in computing reaction pathways, how would you rationalize a situation where the 'transition state' is lower in energy than the reactants? Is this a common occurrence? Could it be that the located TS is for a side reaction? Could the 'TS' just be an artifact?

I would be very grateful if someone could offer some suggestions as to the chemistry involved here. Thanks in advance.

Richard Tia
KNUST
Kumasi
Ghana