From parthi@aero.iisc.ernet.in Sun Apr 20 01:37:26 1997 Received: from milan.doe.ernet.in for parthi@aero.iisc.ernet.in by www.ccl.net (8.8.3/950822.1) id AAA08226; Sun, 20 Apr 1997 00:44:55 -0400 (EDT) Received: from iisc.ernet.in by milan.doe.ernet.in (4.1/SMI-4.1) id AA29050; Sun, 20 Apr 97 10:20:17+050 Received: from aero.iisc.ernet.in by iisc.ernet.in (ERNET-IISc/SMI-4.1) id KAA12164; Sun, 20 Apr 1997 10:14:22 +0530 Received: by aero.iisc.ernet.in (ERNET-IISc/SMI-4.1) id AA27446; Sun, 20 Apr 1997 10:12:41 -0500 Date: Sun, 20 Apr 1997 10:12:41 -0500 (GMT) From: S Parthiban To: chemistry@www.ccl.net Subject: Spin-Orbit Splittings Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Netters: I would appreciate any information/references/URL of spin-orbit splittings, in particular spin-orbit splittings for radicals. Thanks in advance for any suggestions! Parthi From s.hogg@ic.ac.uk Sun Apr 20 10:37:31 1997 Received: from romeo.ic.ac.uk for s.hogg@ic.ac.uk by www.ccl.net (8.8.3/950822.1) id JAA09447; Sun, 20 Apr 1997 09:59:20 -0400 (EDT) Received: from judy.ic.ac.uk [155.198.5.5] by romeo.ic.ac.uk with esmtp (Exim 0.57 #1) id 0wIx94-0000TK-00; Sun, 20 Apr 1997 14:59:10 +0100 Received: from mtcmsa.mt.ic.ac.uk (root@mtcmsag1.mt.ic.ac.uk [155.198.96.22]) by judy.ic.ac.uk (8.7.5/8.7.5) with SMTP id OAA14918 for ; Sun, 20 Apr 1997 14:59:04 +0100 (BST) Received: from mtcsh.mt.ic.ac.uk by mtcmsa.mt.ic.ac.uk (5.x/4.1) id AA29547; Sun, 20 Apr 1997 14:59:02 +0100 X-Received: from helen.mt.ic.ac.uk (dialup-1-4.net.ic.ac.uk) by mtcsh.mt.ic.ac.uk; Sun, 20 Apr 1997 14:59:01 +0100 Message-Id: <3.0.1.32.19970420145938.006dac08@155.198.100.1> X-Sender: seth@155.198.100.1 X-Mailer: Windows Eudora Pro Version 3.0.1 (32) Date: Sun, 20 Apr 1997 14:59:38 +0100 To: CHEMISTRY@www.ccl.net From: Simon Hogg Subject: MM parameters for silicon Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Dear All, I am having some problems getting MM2 - type parameters for silicon compounds (silanes) The systems I am interested in have silicon, oxygen, chlorine, fluorine and carbon (aromatic + sp3). I have parameters for most bond-types in these systems, but am missing some, e.g. Cl-Si-C(sp2) bending, Csp2-Csp2-Si-Cl torsion, etc. Does anyone know of a source for these parameters (or have them to hand?) Also, can anyone recommend AM1 or PM3 as more suitable for silanes? -- Simon Hogg, Imperial College, London, UK Tel. +44 171 589 5111 ext. 56721 Fax. +44 171 584 3194 Owner of Glass Mailing List glass-list@ic.ac.uk PGP fingerprint NOT USED AS FROM 06-MARCH-1997