Subject: RE: MOPAC charges in excited state

From: "Mark Thompson" <mark)at(arguslab.com>
Date: Tue, 29 Jun 2004 08:23:11 -0700

Zoli,

If you are interested in excited state charges, you can get ZINDO excited
state charges with ArgusLab 4.0.

It's free for single-user academics faculty and students.

http://www.arguslab.com

Mark

***************************
Mark Thompson
ArgusLab
PO Box 55207
Seattle, WA  98155
FAX: 206.440.3305

mark)at(arguslab.com
http://www.arguslab.com
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-----Original Message-----
From: Computational Chemistry List [mailto:chemistry-request)at(ccl.net]On
Behalf Of ccl)at(fekete.mailshell.com
Sent: Monday, June 28, 2004 7:57 PM
To: CHEMISTRY)at(ccl.net
Subject: CCL:MOPAC charges in excited state

 I'm trying to get atomic charges for excited states with MOPAC v6 - but the
charges output always seem to be that of the ground state (and the ones when
MULLIKEN keyword is given look total garbage, not even summing up to any
integer value)! Is there any way to get them correctly with this program?

--
 Zoli Fekete

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