From chemistry-request@www.ccl.net  Wed Jan 20 05:41:03 1999
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From: "Piotr Paneth" <paneth@ck-sg.p.lodz.pl>
To: <CHEMISTRY@www.ccl.net>
Subject: anharmonic freqencies
Date: Wed, 20 Jan 1999 11:40:29 -0000
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Hi all:
could anybody point me to a program which allows calculations of anharmonic
freqencies.
Thanks in advance.
Piotr
**************************************************************************
Piotr Paneth, Ph.D., D.Sc.
Professor of Chemistry
Technical University, Zeromskiego 116, 90-924 Lodz, Poland
phone: (+48-42) 631-3199                            fax: (+48-42) 636-5008
paneth@ck-sg.p.lodz.pl


From chemistry-request@www.ccl.net  Wed Jan 20 22:33:29 1999
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Date: Thu, 21 Jan 1999 14:32:02 +1100 (EST)
From: magnus@onsager.ch.adfa.edu.au (Dr Magnus Ullner)
Message-Id: <199901210332.OAA14156@ch.adfa.edu.au>
To: chemistry@www.ccl.net
Subject: Pt(II) parameters for HyperChem4.5


Dear CCLers:

I was just wondering if anyone has successfully used HyperChem4.5 for
Pt(II) square planar complex minimisations using Amber2 and/or MM+?  

If so, what extra parameters will I need to add to the force field(s)?

Thank you very much and I'll summarise.

Dr. Magnus Ullner
School of Chemistry
University College, ADFA
Canberra ACT 2600
Australia 

magnus@chemistry.ch.adfa.edu.au