Subject: Link atoms in QM/MM

From: Thomas Exner <[email-masked]>
Date: Tue, 11 Feb 2003 13:11:29 -0600

Dear CCLers:

Could anybody please point me to resources, where I can find basis set
parameters used for nonhydrogen link atoms (pseudohalogen atoms) in
QM/MM calculations, or to references, how such parameters can be
derived. Thank you very much.

Best whishes.
Thomas
 
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Dr. Thomas Exner
Computational, Theoretical & Mathematical Chemistry
Department of Chemistry 
University of Saskatchewan
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Department of Physical Chemistry
Physical Chemistry I 
Darmstadt University of Technology (TUD)
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