From poda@violet.incm.u-nancy.fr Mon Jan 13 03:16:05 1997 Received: from brown.incm.u-nancy.fr for poda@violet.incm.u-nancy.fr by www.ccl.net (8.8.3/950822.1) id CAA00089; Mon, 13 Jan 1997 02:53:45 -0500 (EST) Received: from violet.incm.u-nancy.fr by brown.incm.u-nancy.fr via ESMTP (940816.SGI.8.6.9/940406.SGI.AUTO) for <@brown.incm.u-nancy.fr:chemistry@www.ccl.net> id IAA18648; Mon, 13 Jan 1997 08:56:48 GMT Received: by violet.incm.u-nancy.fr (940816.SGI.8.6.9/940406.SGI.AUTO) id IAA22232; Mon, 13 Jan 1997 08:56:47 GMT Date: Mon, 13 Jan 1997 08:56:41 +0000 (WET) From: Gennady PODA To: chemistry@www.ccl.net Subject: CCL: supplementary bridge in chemokine receptors ? Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Netters, Does anybody know experimental facts concerning supplementary disulfide bridges in the chemokine (alpha or beta) receptors which belong to GPCR superfamily? Any hints or references would be grately appreciated. Many thanks in advance for your help. Best wishes, Gennady ************************************************************ Dr. Gennady PODA Laboratoire de Chimie theorique (UA 510 au C.N.R.S.) Universite Henri Poincare, Nancy-I Faculte des Sciences - Domaine scientifique Victor Grignard B.P. 239 - 54506 Vandoeuvre-les-Nancy Cedex France Fax : + 33 (0)3.83.91.25.30 E-mail : poda@incm.u-nancy.fr ************************************************************ From cresimm@POP.univ-lille1.fr Mon Jan 13 09:16:07 1997 Received: from lilserv.univ-lille1.fr for cresimm@POP.univ-lille1.fr by www.ccl.net (8.8.3/950822.1) id IAA05115; Mon, 13 Jan 1997 08:55:35 -0500 (EST) Received: from omega.univ-lille1.fr (omega.univ-lille1.fr [134.206.1.35]) by lilserv.univ-lille1.fr (8.7.6/jtpda-5.1) with SMTP id OAA00113 for ; Mon, 13 Jan 1997 14:59:25 +0100 (MET) Received: by omega.univ-lille1.fr; id AA21364; Mon, 13 Jan 1997 14:55:27 +0100 Message-Id: <9701131355.AA21364@omega.univ-lille1.fr> X-Sender: cresimm@pop.univ-lille1.fr X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Mon, 13 Jan 1997 15:59:33 -0100 To: chemistry@www.ccl.net From: CRESIMM Subject: poster from france Last name: YASSER First Name: KARZAZI Institution Universite de LILLE1 Department of chemistry Address: Batiment C8, 1er etage, 59650 Villeneuve d'ascq, FRANCE. Telephone: (33) 03-20-33-72-82 Fax: (33) 03-20-33-72-79 E-mail: cresimm@pop.univ-lille1.fr I intend to present two posters. Is it possible now. Please send me all about the meeting Thank you From jstorer@dow.com Mon Jan 13 10:16:07 1997 Received: from na3.dow.com for jstorer@dow.com by www.ccl.net (8.8.3/950822.1) id JAA05356; Mon, 13 Jan 1997 09:33:15 -0500 (EST) Received: by na3.dow.com id AA07301 (InterLock SMTP Gateway 3.0 for CHEMISTRY@www.ccl.net); Mon, 13 Jan 1997 09:32:00 -0500 Message-Id: <199701131432.AA07301@na3.dow.com> Received: by na3.dow.com (Internal Mail Agent-1); Mon, 13 Jan 1997 09:32:00 -0500 From: "Storer, Joey" To: "'CHEMISTRY@www.ccl.net'" Subject: FCP:Symp. Comp. Chemical Kinetics and Dynamics, ACS-CRM Date: Mon, 13 Jan 1997 08:31:35 -0600 X-Mailer: Microsoft Exchange Server Internet Mail Connector Version 4.0.994.63 Encoding: 60 TEXT Symposium Announcement and FINAL Call for Papers 1997 Computational Chemical Kinetics and Reaction Dynamics American Chemical Society 29th Central Regional Meeting May 27-30, 1997 Midland, Michigan This is the final call for papers for a symposium that will focus on computational chemical kinetics and dynamics. Research will be reviewed where theoretical methods are used to solve issues of mechanism and to unravel interesting kinetic and dynamic properties of chemical reactions. Analysis of the accuracy and insights available from new theoretical approaches will also be a dominant theme. The symposium is open to a broad range of theories from accurate quantum methods to the ever successful Transition State Theory. Included in the symposium will be the following presentations: K.N. Houk Theoretical Modeling of Anomalous Kinetic Parameters in Carbene Rearrangements, and the Competition Between Carbene Rearrangements and Cycloadditions. W.L. Hase (To be announced) G.A. Petersson Complete Basis Set Reaction Rates. H.B. Schlegel Some Recent Improvements in Computational Tools for Studying Chemical Reactions. D.A. Smith Mechanism of DMDO Oxidation of Amines in the Gas Phase, Continuum Solvent, and with Water Catalysts. T. Truong Molecular Modeling of Chemical Reactivity of Zeolites. Abstracts may be forwarded by e-mail to the organizer. (Final submission due by 1-15-97.) Organizer: Joey W. Storer (jstorer@dow.com) The Dow Chemical Company Computing, Modeling & Information Sciences 1776 Building Midland, MI 48674 517-636-7883 FAX: 517-636-5406 From gmercier@mail.med.upenn.edu Mon Jan 13 13:16:09 1997 Received: from mail.med.upenn.edu for gmercier@mail.med.upenn.edu by www.ccl.net (8.8.3/950822.1) id MAA07038; Mon, 13 Jan 1997 12:56:57 -0500 (EST) Received: (from gmercier@localhost) by mail.med.upenn.edu (8.8.4/8.8.4) id MAA06614 for CHEMISTRY@www.ccl.net; Mon, 13 Jan 1997 12:56:58 -0500 (EST) From: "Gustavo A. Mercier Jr" Message-Id: <199701131756.MAA06614@mail.med.upenn.edu> Subject: superposition of molecules and quaternions To: CHEMISTRY@www.ccl.net Date: Mon, 13 Jan 1997 12:56:58 -0500 (EST) X-Mailer: ELM [version 2.4 PL23-upenn3.1] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Hi! I am trying to track down a reference from G.R. Kneller in Molecular Simulation (1991) titled "Superposition of Molecular Structures Using Quaternions". I have tried several abstracts (CA, Dialindex in Dialog) unsuccessfully. I have to use interlibrary loan to get the article, so I need the full reference. Question: Does anybody have the full citation for the above publication? I could only find a reference to an abstract for an IBM meeting in France on the same subject by the same author. Thanks for the help! Bye -- ("`-/")_.-'"``-._ Gustavo A. Mercier,Jr.,MD,PhD (. . `) -._ )-;-,_() Division of Nuclear Medicine (v_,)' _ )`-.\ ``- Dept. of Radiology _;- _,-_/ / ((,' University of Pennsylvania ((,.-' ((,/ 3400 Spruce St. gmercier@mail.med.upenn.edu Philadelphia, PA 19104 215-662-3069/3091 fax: 215-349-5843 From sslayden@osf1.gmu.edu Mon Jan 13 18:16:11 1997 Received: from mason2.gmu.edu for sslayden@osf1.gmu.edu by www.ccl.net (8.8.3/950822.1) id RAA10121; Mon, 13 Jan 1997 17:59:49 -0500 (EST) Received: by mason2.gmu.edu; (5.65v3.2/1.1.8.2/07Sep94-1001AM/GMUv1) id AA07457; Mon, 13 Jan 1997 17:59:51 -0500 Date: Mon, 13 Jan 1997 17:59:51 -0500 (EST) From: "Suzanne W. Slayden" X-Sender: sslayden@mason2.gmu.edu To: CCL mailing list Subject: Molecular energy data In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Netters: I'm looking for energies of small functionalized organic compounds calculated at least at the 6-31G level. I'm particularly interested in compounds such as ethyl and propyl alcohol, ethyl and propyl amine, etc. (Some of the n- and t-butyl compounds are found in K. Wiberg JOC 1991, 56, 544 and the methyl compounds calculated earlier are referenced). There is a series of articles by N.L. Allinger and coworkers supposedly containing the data I need. However, the only one of these which is in our library (JACS 1992, 114, 2880) doesn't report the results of the energy calculations but instead processes the data further. The information is not with the supplementary data. Does anyone know whether or not the other articles [J. Phys. Org. Chem. 1990, 3, 732; 1992, 5, 225; Heteroatom Chem., 1992, 3, 69] contain the original data (I'll try to order these from interlibrary loan, but of course I need the data today!)? If the data are not in these articles, do you know where I could obtain them? Thanks for any help you can give me. Suzanne Slayden |---------------------------| | Suzanne W. Slayden | | Chemistry Department 3E2 | | George Mason University | | Fairfax, VA 22030-4444 | | sslayden@gmu.edu | |---------------------------| From sslayden@osf1.gmu.edu Mon Jan 13 20:16:15 1997 Received: from mason2.gmu.edu for sslayden@osf1.gmu.edu by www.ccl.net (8.8.3/950822.1) id UAA10650; Mon, 13 Jan 1997 20:02:58 -0500 (EST) Received: by mason2.gmu.edu; (5.65v3.2/1.1.8.2/07Sep94-1001AM/GMUv1) id AA18029; Mon, 13 Jan 1997 20:02:59 -0500 Date: Mon, 13 Jan 1997 20:02:59 -0500 (EST) From: "Suzanne W. Slayden" X-Sender: sslayden@mason2.gmu.edu To: CCL mailing list Subject: Re: CCL:Molecular energy data In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Mon, 13 Jan 1997, I wrote: > supposedly containing the data I need. However, the only one of these which > is in our library (JACS 1992, 114, 2880) doesn't report the results of the > energy calculations but instead processes the data further. Well, the answer is before my very eyes in the alphabet soup of the aforementioned article! Of course the energies were published. Sending e-mail to an entire list immediately allowed me to see my mistake. ;-) Suzanne Slayden |---------------------------| | Suzanne W. Slayden | | Chemistry Department 3E2 | | George Mason University | | Fairfax, VA 22030-4444 | | sslayden@gmu.edu | |---------------------------|