From tore@physchem.kth.se Mon Dec 5 10:17:26 1994 Received: from link.physchem.kth.se for tore@physchem.kth.se by www.ccl.net (8.6.9/930601.1506) id JAA10818; Mon, 5 Dec 1994 09:50:14 -0500 Received: by physchem.kth.se (MX V4.0-1 VAX) id 5; Mon, 05 Dec 1994 15:50:43 EST Date: Mon, 05 Dec 1994 15:50:41 EST From: Tore Brinck To: CHEMISTRY@ccl.net Message-ID: <009887E0.6C2974E0.5@physchem.kth.se> Subject: vdW parameters for Cu(I) 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 tore@physchem.kth.se