Subject: vdW parameters for Cu(I)

From: Tore Brinck <[email-masked]>
Date: Mon, 05 Dec 1994 15:50:41 EST

Dear Netters,

I am looking for vdW parameters for Cu(I).  These should
preferably have been developed for the Amber FF, but other
parameters of the Lennard-Jones type might work as well.

Is there a straightforward method for calculating vdw
parameters for transition metals using ab initio or 
DFT techniques?

Thank you!

		Tore Brinck
		Dep. of Chemistry
		Royal Institute of Technology
		Stockholm, Sweden
		[email-masked]