From chemistry-request@server.ccl.net Thu Dec 3 11:13:29 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA32500 for ; Thu, 3 Dec 1998 11:13:29 -0500 Received: from stoplight.bnpi.com (eagle.bnpi.com [207.193.48.5]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id LAA03972 Thu, 3 Dec 1998 11:09:19 -0500 (EST) Received: from beavis.bnpi.com ([198.213.32.3]) by stoplight.bnpi.com via smtpd (for www.ccl.net [192.148.249.5]) with SMTP; 3 Dec 1998 16:11:22 UT Received: from bnpi.com (b27.bnpi.com [198.213.32.6]) by bnpi.com (980427.SGI.8.8.8/970903.SGI.AUTOCF) via ESMTP id KAA24407 for ; Thu, 3 Dec 1998 10:06:33 -0600 (CST) Sender: jeff@bnpi.com Message-ID: <3666B6FA.69C0C0A2@bnpi.com> Date: Thu, 03 Dec 1998 10:06:18 -0600 From: Jeff Saxe X-Mailer: Mozilla 4.05C-SGI [en] (X11; I; IRIX 6.5 IP22) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: request for list of ECPs for metals Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Could somebody please let me know all the references that are available for transition metals using effective core potentials? Thanks in advance for the help. -- Jeffrey D. Saxe BioNumerik Pharmaceuticals, Inc. Suite 1250, 8122 Datapoint Dr., San Antonio, TX 78229 email jeff@bnpi.com phone 210-614-1701 x225 fax 210-615-8030 From chemistry-request@server.ccl.net Thu Dec 3 12:45:07 1998 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA32694 for ; Thu, 3 Dec 1998 12:45:07 -0500 Received: from hartree.chem.kuleuven.ac.be (hartree.quantchem.kuleuven.ac.be [134.58.49.1]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id MAA05578 Thu, 3 Dec 1998 12:40:48 -0500 (EST) Received: from localhost (alexei@localhost) by hartree.chem.kuleuven.ac.be (8.9.0/8.9.0) with ESMTP id SAA21802; Thu, 3 Dec 1998 18:40:03 +0100 Date: Thu, 3 Dec 1998 18:40:02 +0100 (NFT) From: Alexei Arbouznikov To: Jeff Saxe cc: chemistry@www.ccl.net Subject: Re: CCL:request for list of ECPs for metals In-Reply-To: <3666B6FA.69C0C0A2@bnpi.com> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Jeff, There is a set of consistent between themselves ECP's together with correspondent valenece basis sets, throughout the whole Periodic Table, except for sixth-row elements: Li-Ar: W.J.Stevens, H.Basch, M.Krauss, J.Chem.Phys. 81(12), 6026-6033 (1984) K-Rn (except for lanthanides): W.J.Stevens, M.Krauss, H.Basch, P.G.Jasien, Can. J. Chem. 70, 612-630 (1992) Lanthanides: T.R.Cundari, W.J.Stevens, J.Chem.Phys. 98(7), 5555-5565 (1993) Regards, Alexei --------------------------------------------------------------- Dr. Alexei Arbouznikov Katholieke Universiteit Leuven Departement Scheikunde Afdeling Quantumchemie Celestijnenlaan 200F B-3001 Heverlee BELGIUM Tel. (32) 16.32.74.76 Fax. (32) 16.32.79.92 E-mail: alexei@hartree.quantchem.kuleuven.ac.be On Thu, 3 Dec 1998, Jeff Saxe wrote: > Could somebody please let me know all the references that are available > for transition metals using effective core potentials? > > Thanks in advance for the help. > -- > Jeffrey D. Saxe > BioNumerik Pharmaceuticals, Inc. > Suite 1250, 8122 Datapoint Dr., San Antonio, TX 78229 > email jeff@bnpi.com phone 210-614-1701 x225 fax 210-615-8030 > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: chemistry-request@www.ccl.net > -- Original Sender From: Address: jeff@bnpi.com > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > > From chemistry-request@www.ccl.net Fri Nov 27 12:50:11 1998 Return-Path: Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA02626 for ; Fri, 27 Nov 1998 12:50:10 -0500 Received: from Sun.Farlep.Net (Sun.Farlep.Net [208.244.48.1]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id MAA24302 Fri, 27 Nov 1998 12:47:22 -0500 (EST) Organization: Farlep-Internet Received: from farlep.net (L103.Farlep.Net [208.244.49.229]) by Sun.Farlep.Net (8.9.1/8.9.0/Farlep-Mail-2.0) with ESMTP id TAA20289; Fri, 27 Nov 1998 19:46:54 +0200 (EET) Message-ID: <365EE2CE.92927113@farlep.net> Date: Fri, 27 Nov 1998 19:35:10 +0200 From: Alexander Herega X-Mailer: Mozilla 4.03 [en] (Win95; I) MIME-Version: 1.0 To: "jkl@ccl.net" , "chemistry@www.ccl.net" Subject: Thanks References: <35E7E771.DFDB1B56@farlep.net> Content-Type: text/plain; charset=koi8-r Content-Transfer-Encoding: 7bit Status: R Hello. I'd like to liquidate my subscribtion for the conference for a certain time. Thank you very much for cooperation. Alexander Herega From chemistry-request@server.ccl.net Thu Dec 3 15:08:32 1998 Received: from cis.ohio-state.edu (mail.cis.ohio-state.edu [164.107.115.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id PAA00262 for ; Thu, 3 Dec 1998 15:08:32 -0500 Received: from hammond.cis.ohio-state.edu (xue@hammond.cis.ohio-state.edu [164.107.17.6]) by cis.ohio-state.edu (8.9.1/8.9.1) with ESMTP id PAA02468 for ; Thu, 3 Dec 1998 15:04:24 -0500 (EST) From: jing xue Received: (xue@localhost) by hammond.cis.ohio-state.edu (8.8.0/8.6.4) id PAA29057 for chemistry@server.ccl.net; Thu, 3 Dec 1998 15:04:22 -0500 (EST) Date: Thu, 3 Dec 1998 15:04:22 -0500 (EST) Message-Id: <199812032004.PAA29057@hammond.cis.ohio-state.edu> To: chemistry@server.ccl.net Subject: test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2 test forwarder.new from cis 3.2