Subject: Van der Waals parameters for Ge?

From: Stefan Bromley <[email-masked]>
Date: Wed, 23 Oct 2002 09:54:17 +0200

Dear CCL,

does anyone know of any non-bonded VDW parameters for 
Germanium. Specifically we want a reasonable representation of 
the Ge---H non-bonding interaction. So far we have used the 
UFF/Dreiding values and used mixing rules to get a first 
approximation but which seems to give a much too large Ge-H 
equilibrium distance (cf empirical H-Si). We have also seen on the 
web that MM2 may have such parameters but we have been not 
been able to find them. Any ideas?

Thanks,

Stefan   
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Dr Stefan T. Bromley
Laboratory of Applied Organic Chemistry and Catalysis
DelftChemTech, Delft University of Technology
Julianalaan 136, 2628 BL Delft
The Netherlands

Phone  : + 31 1527 89418
 
e-mail  : [email-masked]
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