From owner-chemistry@ccl.net Sat Jul 12 06:02:00 2008
From: "Frank Neese neese-x-thch.uni-bonn.de" <owner-chemistry : server.ccl.net>
To: CCL
Subject: CCL: INDO/S-CI in ZINDO ?
Message-Id: <-37334-080712055518-9802-Wbn9gwMquYwgQLIB55vp/Q : server.ccl.net>
X-Original-From: Frank Neese <neese^^^thch.uni-bonn.de>
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Date: Sat, 12 Jul 2008 11:54:58 +0200
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Sent to CCL by: Frank Neese [neese(-)thch.uni-bonn.de]
Dear Jiten,


yes, for example ORCA can do ZINDO/S single-reference CI or 
multireference CI calculations and has transition metal parameters.
You get it for free at http://www.thch.uni-bonn.de/tc/orca/

Best regards,
FN
 


JITEN SINGH jiten_._postech.ac.kr schrieb:
> Sent to CCL by: "JITEN  SINGH" [jiten###postech.ac.kr]
> Hi CCL members,
>
> I know that the ZINDO in Material Studio from Accelrys have the ability to perform INDO/S-CI used quite often for Transition metal complexes. I wonder if any other QM program support this.
>
> Sincerley,
>
> Jiten

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Prof. Dr. Frank Neese
Lehrstuhl fuer Theoretische Chemie
Universitaet Bonn
Wegelerstr. 12
D-53115 Bonn, Germany
neese|,|thch.uni-bonn.de
Phone: +49-228-732351
FAX: +49-(0)228-739064
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