From owner-chemistry&$at$&ccl.net Wed Jul 26 21:39:00 2006
From: "Agalya G agalya81 ~ gmail.com" <owner-chemistry]~[server.ccl.net>
To: CCL
Subject: CCL: Radical cation
Message-Id: <-32261-060726042117-31799-5dy6Gz/VurkND9XyadKnkQ]~[server.ccl.net>
X-Original-From: "Agalya  G" <agalya81 ~~ gmail.com>
Date: Wed, 26 Jul 2006 04:21:16 -0400


Sent to CCL by: "Agalya  G" [agalya81#%#gmail.com]

How to model compounds with radical cation or anion? Is it ok, if i do unrestricted calculation with doblet multiplicity and charge +1 for radical cation?