Subject: Coordinate Transformations for Force Constants

From: [email-masked] (Lawrence S. Norris)
Date: Mon, 12 Jun 1995 08:05:13 -0500 (CDT)

Recently there have been several requests for routines that
will do coordinate transformations of force constants from 
internal coordinates to cartesians.  

Such codes are available from 
Prof. Max Diem 
Department of Chemistry  
Hunter College of CUNY
695 Park Avenue
New York, NY   10021
212-772-5330
212-772-5332
[email-masked] (this may be outdated)

Also check Barlow and Diem, 1991, J. Chem. Edu., vol. 68, no. 1, pp 35-39

Professor Diem has a good book out on vibrational spectroscopy.
Finally I obtained from Dr. Diem copies of the original article
>from Schachtschneider which is hard to get.

I hope this helps somebody.

-- 
                             Lawrence S.  Norris
________________________________________________________________________
Departments of Biomedical Engineering |
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