From mike@vangogh.chem.uab.edu Wed Dec 24 00:17:08 1997 Received: from vangogh.chem.uab.edu for mike@vangogh.chem.uab.edu by www.ccl.net (8.8.3/950822.1) id QAA15166; Tue, 23 Dec 1997 16:31:05 -0500 (EST) Received: from vangogh (vangogh.chem.uab.edu [138.26.72.16]) by vangogh.chem.uab.edu (AIX4.2/UCB 8.7/8.7) with SMTP id PAA24570; Tue, 23 Dec 1997 15:28:33 -0600 (CST) Sender: mike@vangogh.chem.uab.edu Message-ID: <34A02D00.41C6@vangogh.chem.uab.edu> Date: Tue, 23 Dec 1997 15:28:32 -0600 From: Mike Chen Organization: UAB X-Mailer: Mozilla 3.0Gold (X11; I; AIX 2) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: Heats of formation summary Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Thank you all for the information on my question. the NIST Chemistry Webbook has thermochemical data availible on some molecules. The figures are to a large extent taken from the JANAF thermochemical tables. (http://webbook.nist.gov/chemistry/) Mike -- **************************************************** Mr. Zhi (Mike) Chen Department of Chemistry 901 S. 14th St. University of Alabama at Birmingham Birmingham, AL 35294-1240, USA PHONE: 205-934-2481 FAX : 205-934-8955 **************************************************** From jack@q-chem.com Wed Dec 24 01:10:28 1997 Received: from jubilee.q-chem.com for jack@q-chem.com by www.ccl.net (8.8.3/950822.1) id AAA00404; Wed, 24 Dec 1997 00:44:53 -0500 (EST) Received: from gambit.q-chem.com (gambit.q-chem.com [192.0.0.6]) by jubilee.q-chem.com (950413.SGI.8.6.12/950213.SGI.AUTOCF) via SMTP id AAA18932 for ; Wed, 24 Dec 1997 00:47:27 -0500 Received: from localhost by gambit.q-chem.com (AIX 4.1/UCB 5.64/4.03) id AA11908; Wed, 24 Dec 1997 00:44:53 -0500 Date: Wed, 24 Dec 1997 00:44:53 -0500 (EST) From: "Jeremy P. Dombroski" To: Computational Chemisty List Subject: Q-Chem 1.1 Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers: The new release of the ab initio software - Q-Chem 1.1 - is due for shipment this next week. This version comes with an extensive users manual, new pricing structure for academics and extensive new features (including the fastest quantum chemistry multipole-based method - CFMM). Details at www.q-chem.com. Thanks, Jeremy Dombroski Q-Chem, Inc. From chaka@lubrizol.com Wed Dec 24 12:10:34 1997 Received: from bedrock for chaka@lubrizol.com by www.ccl.net (8.8.3/950822.1) id LAA01918; Wed, 24 Dec 1997 11:15:40 -0500 (EST) From: Received: from interlock.lubrizol.com for chaka@lubrizol.com by bedrock (SMI-8.6/950822.1) id LAA22263; Wed, 24 Dec 1997 11:15:39 -0500 Received: by interlock.lubrizol.com id AA07772 (InterLock SMTP Gateway 3.0 for chemistry@ccl.net); Wed, 24 Dec 1997 11:15:37 -0500 Message-Id: <199712241615.AA07772@interlock.lubrizol.com> Received: by interlock.lubrizol.com (Protected-side Proxy Mail Agent-1); Wed, 24 Dec 1997 11:15:37 -0500 Date: Wed, 24 Dec 1997 10:19:13 -0500 To: chemistry@ccl.net Subject: call for papers - quantum chemistry, catalysis, surfaces ************* CALL FOR PAPERS *************** The American Chemical Society's 30th Central Regional Meeting Cleveland, Ohio May 27-29, 1998 Symposium on Quantum Mechanics, Catalysis, and Surface Reactivity Anne Chaka, Organizer (The Lubrizol Corporation) ****** Abstracts are due January 26, 1998 ******* ______________________________________________________ List of Invited Speakers: Scott Auerbach, U. Mass, Amherst David W. Ball, Cleveland State University (Confirmed) Craig Burkhart, Goodyear (Confirmed) P.K. Das, Phillips Petroleum (Confirmed) Bernard Delley, Paul Sherrer Institute (Confirmed) David Ewing, John Carroll University (Confirmed) George Fitzgerald, Molecular Simulations, Inc. (Confirmed) Doug Fox, Gaussian, Inc. Ken Jordan, University of Pittsburgh (Confirmed) John C. Light, University of Chicago (Confirmed) Lawrence Lohr, University of Michigan John Low, UOP Nancy Makri, University of Illinois, Urbana-Champaign (Confirmed) Christopher Marshall, Argonne National Lab Eilert Ofstead, Goodyear (Confirmed) Brian Peterson, Air Products Dennis Salahub, University of Montreal (Confirmed) William Schneider, Ford Motor Company (Confirmed) Jack Smith, Union Carbide (Confirmed) __________________________________________________________ Abstracts are due January 26, 1998, and must be in standard American Chemical Society format. ACS abstract information and form can be obtained from the Central Regional Meeting Website: Website: http://www.csuohio.edu/cleveland_acs/crm.htm The meeting will be held at the Renaissance Cleveland Hotel in downtown Cleveland, close to the Great Lakes Science Center, the Rock and Roll Hall of Fame, the Flats, and Jacobs Field - home of the nearly world champion Cleveland Indians. Don't miss the Gala Kick-Off event to be held at the new Great Lakes Science Center _____________________________________________________ Anne M. Chaka Voice:440-943-1200 x2027 The Lubrizol Corporation Fax: 440-943-9020 Research Division MS 151-B Email: chaka@lubrizol.com 29400 Lakeland Blvd. Wickliffe, OH 44092-2298 _____________________________________________________ From mem2!mem2.ilc.msu.su!mal@gw.ilc.msu.su Wed Dec 24 15:10:34 1997 Received: from gw.ilc.msu.su for mem2!mem2.ilc.msu.su!mal@gw.ilc.msu.su by www.ccl.net (8.8.3/950822.1) id OAA02338; Wed, 24 Dec 1997 14:17:45 -0500 (EST) Received: from mem2.UUCP (uumem2@localhost) by gw.ilc.msu.su (8.6.12/8.6.12) with UUCP id WAA18983 for chemistry@www.ccl.net; Wed, 24 Dec 1997 22:38:17 GMT Received: by mem2.ilc.msu.su (dMail for Windows v1.2P, 23Jul96); Wed, 24 Dec 1997 22:15:12 +0300 To: chemistry@www.ccl.net Organization: ILC MSU Message-Id: From: mal@mem2.ilc.msu.su (Dmitriy Malakhov) Date: Wed, 24 Dec 1997 22:15:12 +0300 (MSK) X-Mailer: dMail [Demos Mail for Windows v1.2 Professional] Return-Receipt-To: mal@mem2.ilc.msu.su Subject: ESA Lines: 9 MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCLers! What kind of semiempirical method is the best to calculate excited state absorption spectra. Thank you for answer. pst.st. Dmitrii Malakhov Moscow State University, Moscow, Russia E-mail: mal@mem2.ilc.msu.su or malakhoff@hotmail.com