From mathieu@ripault.cea.fr Thu May 14 11:30:58 1998 Received: from nenuphar.saclay.cea.fr for mathieu@ripault.cea.fr by www.ccl.net (8.8.3/950822.1) id KAA09367; Thu, 14 May 1998 10:39:05 -0400 (EDT) Received: from muguet.saclay.cea.fr (muguet.saclay.cea.fr [132.166.192.6]) by nenuphar.saclay.cea.fr (8.8.8/CEAnet-relay-4.1.1) with ESMTP id QAA20614 for ; Thu, 14 May 1998 16:38:58 +0200 (MET DST) Received: from cerbere.limeil.cea.fr (cerbere.bruyeres.cea.fr [132.165.76.1]) by muguet.saclay.cea.fr (8.8.8/CEAnet-relay-4.1.1) with SMTP id QAA12626 for ; Thu, 14 May 1998 16:38:58 +0200 (MET DST) Received: by cerbere.limeil.cea.fr (CEANET-1.1+) id AA06890; Thu, 14 May 1998 16:38:56 +0200 Received: from indre.ripault.cea.fr(132.165.32.1) by cerbere via smap id sma006887; Thu May 14 16:38:30 1998 Received: from ripault.cea.fr (cher.ripault.cea.fr [132.165.32.3]) by ripault.cea.fr. (8.8.7/8.7.3) with ESMTP id QAA13096 for ; Thu, 14 May 1998 16:37:12 +0200 Received: from cher.ripault.cea.fr (localhost [127.0.0.1]) by ripault.cea.fr (8.8.7/8.8.7) with SMTP id QAA02311 for ; Thu, 14 May 1998 16:37:57 +0200 Sender: mathieu@ripault.cea.fr Message-Id: <355B01C1.5C3B81E1@ripault.cea.fr> Date: Thu, 14 May 1998 14:37:53 +0000 From: Didier MATHIEU Organization: CEA - Le Ripault X-Mailer: Mozilla 3.01 (X11; I; Linux 2.0.32 i586) Mime-Version: 1.0 To: chemistry@www.ccl.net Subject: Force field parameters for Sn ? Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear colleagues, I need to carry out molecular mechanics calculations on organic molecules containing Sn atoms, more specifically, to investigate equilibrium structures of those molecules and clusters. In order to select a suitable force field, I'd like to know what are the parameters for Sn (actually, involved in a -(Sn)H2-alkyl substituant on pyridines) available so far, and for which force fields. I consider the UFF force field, but I'm not sure it is the most suitable ? Thanks for any advice. Regards -- Didier MATHIEU CEA - Le Ripault, BP 16 37260 Monts (France) Tel. 33(0)2.47.34.41.85