From g-recht@chem.nwu.edu Wed Mar 5 02:27:12 1997 Received: from mercury.chem.nwu.edu for g-recht@chem.nwu.edu by www.ccl.net (8.8.3/950822.1) id BAA02497; Wed, 5 Mar 1997 01:48:14 -0500 (EST) Received: from aragorn173.nuts.nwu.edu by mercury.chem.nwu.edu (AIX 3.2/UCB 5.64/4.03) id AA27974; Wed, 5 Mar 1997 00:48:08 -0600 Message-Id: <3.0.16.19970305005114.1fef082c@mercury.chem.nwu.edu> X-Sender: g-recht@mercury.chem.nwu.edu X-Mailer: Windows Eudora Pro Version 3.0 (16) Date: Wed, 05 Mar 1997 00:51:16 -0600 To: chemistry@www.ccl.net From: greg rechtsteiner Subject: ZINDO on Cache Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Hello: I was wondering if anyone has had any luck converting Cache (FOR WINDOWS) ZINDO output files into UV-VIS spectra. I have followed the instructions found in the text readme files, but I have been unable to convert the output successfully. I have even read the manual for the procedure for an old version found on macintoshes with an added processor card. There does not appear to be any simple method supported at this time on the Windows platform. If anyone has an explicit description (method) that works for Cache for WINDOWS, please let me know. Thanks for your time and bandwidth, Greg -- G. Rechtsteiner g-recht@chem.nwu.edu NWU Evanston, IL From inge.muszynski@uni-tuebingen.de Wed Mar 5 04:27:22 1997 Received: from outmail.zdv.uni-tuebingen.de for inge.muszynski@uni-tuebingen.de by www.ccl.net (8.8.3/950822.1) id DAA03121; Wed, 5 Mar 1997 03:31:58 -0500 (EST) Received: from mailserv.uni-tuebingen.de by outmail.zdv.uni-tuebingen.de (4.1/ZDV-Uni-Tuebingen-1.0) id AA29921; Wed, 5 Mar 97 09:31:56 +0100 Received: from commlink.zdv.uni-tuebingen.de by mailserv.uni-tuebingen.de with SMTP (PP); Wed, 5 Mar 1997 09:31:40 +0100 Received: from poseidon.pharm.chemie.uni-tuebingen.de (poseidon.pharm.chemie.uni-tuebingen.de [134.2.68.21]) by commlink.zdv.uni-tuebingen.de (8.6.12/8.6.12) with SMTP id JAA21995 for ; Wed, 5 Mar 1997 09:30:59 +0100 Date: Wed, 5 Mar 1997 09:30:59 +0100 Message-Id: <199703050830.JAA21995@commlink.zdv.uni-tuebingen.de> X-Sender: cpcmu01@mailserv.uni-tuebingen.de X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: Inge Muszynski Subject: use of aliphatic Hammett constants Dear CCller's for parametrization I need Hammett constants for aliphatic groups attached to a heteroatom like N or O. Is ist O.K. to use in this case sigma star representing the aliphatic inductive effect? What is sigma contiguous for? Many thanks in advance. Inge Muszynski University of Tuebingen Auf der Morgenstelle 8 72076 Tuebingen Tel.: 07071/2975278 Fax: 07071/292470 E-mail: inge.muszynski@uni-tuebingen.de From maiden@RedBrick.DCU.IE Wed Mar 5 04:39:13 1997 Received: from tolka.dcu.ie for maiden@RedBrick.DCU.IE by www.ccl.net (8.8.3/950822.1) id DAA03206; Wed, 5 Mar 1997 03:55:31 -0500 (EST) Received: from Nurse.RedBrick.DCU.IE by tolka.dcu.ie; (5.65v3.2/1.1.8.2/14Feb96-0535PM) id AA07040; Wed, 5 Mar 1997 08:55:20 GMT Received: (from maiden@localhost) by RedBrick.DCU.IE (SomeMTA) id IAA05944; Wed, 5 Mar 1997 08:53:18 GMT Organisation: DCU Networking Society X-Disclaimer: The DCUNS is not responsible for the content of this message Date: Wed, 5 Mar 1997 08:53:18 +0000 (GMT) From: "Mick the imp (not my account!)" To: chemistry@www.ccl.net Subject: Transition states... Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII hello CCL It seems that my question on trnasition states and PES was too vague... What I want to know is the following: I am reading a paper from Merrill, Gronert and Kass J. Phys. Chem. A 1997, 101, 208-218. In this paper they use DFT to study the PES of a base induced elimination. My question is what would be the input for such a calculation {on Gaussian92/DFT}? Is the input the same for an ab initio calculation? michael *************************************************************************** Michael Nolan Dublin City University 41 Woodview Chemistry + German Year 4 Lucan Co. Dublin Rep. of Ireland Email: maiden@redbrick.dcu.ie *************************************************************************** From maiden@RedBrick.DCU.IE Wed Mar 5 04:47:07 1997 Received: from tolka.dcu.ie for maiden@RedBrick.DCU.IE by www.ccl.net (8.8.3/950822.1) id DAA03192; Wed, 5 Mar 1997 03:48:50 -0500 (EST) Received: from Nurse.RedBrick.DCU.IE by tolka.dcu.ie; (5.65v3.2/1.1.8.2/14Feb96-0535PM) id AA26967; Wed, 5 Mar 1997 08:48:41 GMT Received: (from maiden@localhost) by RedBrick.DCU.IE (SomeMTA) id IAA05459; Wed, 5 Mar 1997 08:46:40 GMT Organisation: DCU Networking Society X-Disclaimer: The DCUNS is not responsible for the content of this message Date: Wed, 5 Mar 1997 08:46:39 +0000 (GMT) From: "Mick the imp (not my account!)" To: Thorsten Koch Cc: CCL Subject: Re: CCL:Aromaticity In-Reply-To: Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Mon, 3 Mar 1997, Thorsten Koch wrote: > Date: Mon, 3 Mar 1997 17:42:46 +0100 (MET) > From: Thorsten Koch > To: CCL > Subject: CCL:Aromaticity > > > Dear CClers! > > At the moment I am doing calculations which have to do with aromaticity. > Is anyone in the CCL community aware of any recent references or reviews > on what aramaticity actually is and how it can be defined and/or computed > and/or measured? The articles I read about this topic are mainly from the > 70's. > Any help will be appreciated. > > Bye, Thorsten > Lieber THorsten! You could always look at the paper from Dietz Tutyulkov et al. in J. Chem. Soc. Perkin 2 from 1993. I do not have the exact reference..but you should find it from the author index. In this paper you will find three criteria for determining antiaromaticity, so you can use the opposite of these to determine aromaticity. check the references as well hope this helps mit freundlichen Gruessen michael ************************************************************************* Michael Nolan Dublin City University 41 Woodview Chemistry + German year 4 Lucan Co. Dublin Rep. of Ireland Email: maiden@redbrick.dcu.ie ************************************************************************* From alexidis@pharm.auth.gr Wed Mar 5 04:54:07 1997 Received: from evia.ccf.auth.gr for alexidis@pharm.auth.gr by www.ccl.net (8.8.3/950822.1) id DAA03105; Wed, 5 Mar 1997 03:27:47 -0500 (EST) Received: from 155.207.5.59 (amorgos.pharm.auth.gr [155.207.5.59]) by evia.ccf.auth.gr (8.7.5/8.7.3) with SMTP id KAA04860 for ; Wed, 5 Mar 1997 10:27:31 +0200 (EET) Message-ID: <331D2EA6.AA7@pharm.auth.gr> Date: Wed, 05 Mar 1997 10:28:23 +0200 From: Alexandros Alexidis Reply-To: alexidis@pharm.auth.gr Organization: AUTH X-Mailer: Mozilla 3.0 (Macintosh; I; PPC) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: 5th Conference in Advanced Medicinal Chemistry Content-Type: text/plain; charset=iso-8859-7 Content-Transfer-Encoding: 8bit ************************************************* 5th CONFERENCE IN ADVANCED MEDICINAL CHEMISTRY "Molecular Aspects of Drug Action in Drug Design" May 23-25, 1997, Thessaloniki, GREECE. ************************************************* Under the Auspices of the European Federation for Pharmaceutical Sciences. Organisation: The Department of Pharmaceutical-Medicinal Chemistry, School of Pharmacy, Aristotelian University of Thessaloniki, in Collaboration with the Panhellenic Union of Pharmacists, organises the 5th Conference in Advanced Medicinal Chemistry, on 23, 24 and 25 of May 1997. The theme of the Congress this year will be: Molecular Aspects of Drug Action in Drug Design. There will be eight world-wide recognised authorities in the field as invited speakers. Objective: The objective of this Conference is the presentation of the new developments in drug design, approached from different ways, by well recognised authorities in Medicinal Chemistry in the broad sense. Another important objective is the contact of the invited speakers among themselves and with their Greek and other attending pharmacochemists, through the scientific discussions and the social meetings. Small to medium size scientific conferences have the advantage to offer exiting scientific discussions, in an informal and friendly manner. The high standards of these Conferences in Advanced Medicinal Chemistry in Thessaloniki are guaranteed by the special selection of the world-wide known authorities who are invited as speakers. Audience: Pharmacochemists, Pharmaceutical Scientists oriented in Drug Design, Molecular and Biochemical Pharmacology and Toxicology, Medical Scientists interested in the molecular aspects of drug actions and drug interactions, Biologists, Biochemists, Chemists and Agriculture Scientists interested in xenobiotic, food Biochemistry and environmental pollutants. PRELIMINARY SCIENTIFIC PROGRAMME MAY 23 1. Professor C.C Wermuth, Strasburg: "New cholinergic drugs for Alzheimer's disease". 2. Professor W. Schunack, Berlin: "Histamine H3-receptor agonists and antagonists: Chemical, pharmacological and clinical aspects". 3. Professor E. Mutschler, Frankfurt: "Muscarine receptor subtypes - targets for innovative new drugs". 4. Professor B. Testa, Lausanne: " The lipophilicity in drug design - significance and applications". MAY 24 5. Professor N.P.E. Vermeulen, Amsterdam: "Molecular Toxicology and Drug Discovery / Drug Design". 6. Professor P. MoldŽus, SšdertŠlje: "Use of mechanistic studies in the safety evaluation of drugs. 7. Professor K.J. Netter, Marburg: "The effect of diet on drug metabolism". 8. Professor M. Rowland, Manchester: "Pharmacokinetic issues in site specific drug delivery and targeting". POSTERS There will be few Posters showing the Pharmacochemical Research conducted in the Departments of Pharmaceutical-Medicinal Chemistry in Thessaloniki, Athens and Patras, as well as in other research centres in Greece. SOCIAL PROGRAMME There will be a Welcome Reception, an official Dinner and an Excursion to an archaeological place in the countryside and Mount Olympus. It is exiting to visit the places where kings Philippe and Alexander the Great lived and Aristotle taught. REGISTRATION FEES $ 60, Students: $ 30 LOCATION Auditorium B, Old Conference Centre of the International Trade Fair of Thessaloniki - HELLEXPO CONFERENCE SECRETARIAT - INFORMATION P.N. Kourounakis and E.A. Rekka, Department of Pharmaceutical - Medicinal Chemistry, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki 540 06, GREECE. Telephone: 3031 - 997621, 997614. Fax: 3031 - 997622 For any information please check : WWW: http://amorgos.pharm.auth.gr/CAMC/ -- Alexandros Alexidis (PhD Student) Aristotle University of Thessaloniki School of Pharmacy, Dept. Medicinal Chemistry Thessaloniki 54006, GREECE. Tel: 031-997627, Fax: 031-997622 e-mail: alexidis@pharm.auth.gr www: http://amorgos.pharm.auth.gr/alexidis/home.html From roth@organik.uni-erlangen.de Wed Mar 5 08:27:22 1997 Received: from faui45.informatik.uni-erlangen.de for roth@organik.uni-erlangen.de by www.ccl.net (8.8.3/950822.1) id IAA04607; Wed, 5 Mar 1997 08:12:48 -0500 (EST) Received: from derioc1.organik.uni-erlangen.de (derioc1.organik.uni-erlangen.de [131.188.128.1]) by uni-erlangen.de with SMTP id OAA00079 (8.7.6/7.5c-FAU); for ; Wed, 5 Mar 1997 14:12:44 +0100 (MET) Received: (from roth@localhost) by organik.uni-erlangen.de id OAA00491 (8.6.12/7.4f-FAU);; Wed, 5 Mar 1997 14:12:36 +0100 From: Henryette Roth Message-Id: <199703051312.OAA00491@derioc1.organik.uni-erlangen.de> Subject: MPEG files (Re) To: CHEMISTRY@www.ccl.net Date: Wed, 5 Mar 1997 14:12:35 +0100 (MET) X-Mailer: ELM [version 2.4 PL24] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 8bit OFFICE MEMO Date: March 5th, 1997 MPEG files (Re) >Dear Netters: >I would appreciate receiving ftp sites...from where i would like to >download the MPEG files related to chemistry.. >Thanks in advance >parthi Hi, have a look at the graphical abstracts of the Journal of Molecular Modeling. Next to each other you will find examples for 3D-structures coded as PDB- or XYZ-files. Molecular surfaces and their properties represented as VRML-scenes and last but not least the monitoring of physico-chemical experiments shown in MPEG-sequences. The graphical abstracts of papers published in the Journal of Molecular Modeling are freely accessible at the following sites: http://science.springer.de/ http://www.ccc.uni-erlangen.de/info/JMOLMOD/ http://www.springer-ny.com/jmm/ If you do have any further question related to the Journal of Molecular Modeling please do not hesitate to contact me. All the best, Henryette -- ******************************************************************************** * Henryette Roth * * * Computer Chemie Centrum * All opinions expressed by this user ** Inst. f. Org. Chemie I * are well-reasoned and insightful. ** Universitaet Erlangen * Needless to say, they are not those ** Naegelsbachstr. 25 * of his advisor or university. * * 91052 Erlangen * * ******************************************************************************** * roth@organik.uni-erlangen.de ********************************************************************************* From ccl@www.ccl.net Tue Mar 4 07:27:01 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id GAA25555; Tue, 4 Mar 1997 06:57:27 -0500 (EST) Received: from rulway.leidenuniv.nl for frits@chemde4.leidenuniv.nl by bedrock.ccl.net (8.8.3/950822.1) id GAA26116; Tue, 4 Mar 1997 06:57:23 -0500 (EST) Received: from chemde4.LeidenUniv.nl by rulway.leidenuniv.nl with SMTP id AA18944 (5.67b/IDA-1.5 for <@RULWAY.LEIDENUNIV.NL:chemistry@ccl.net>); Tue, 4 Mar 1997 12:57:22 +0100 Received: by chemde4.leidenuniv.nl (920330.SGI/920502.SGI) for @RULWAY.LEIDENUNIV.NL:R29CLOSE@ETSU.etsu-tn.edu id AA11112; Tue, 4 Mar 97 13:00:46 +0100 Date: Tue, 4 Mar 97 13:00:46 +0100 From: frits@chemde4.leidenuniv.nl (Frits Daalmans) Message-Id: <9703041200.AA11112@chemde4.leidenuniv.nl> To: R29CLOSE@ETSU.ETSU-TN.EDU Subject: Re: CCL: G94 on LINUX Cc: chemistry@ccl.net [Apologies to the list for this off-topic subject, but this concerns errors that only show up under heavy system load, e.g. computational chemistry] Concerning RAM tests: Last year I had the same problem on a PC clone Linux machine (faulty RAM which only showed intermittently during, e.g., compiling large ab-initio packages). I used a (shareware) memory test program, testx33.zip, obtainable from any SIMTEL mirror (e.g. ftp.sunet.se) in directory msdos/memutil/testx33.zip Just run it overnight under DOS; it will perform various read/write operations and count the failures for *as long as you let it run*. It found the faulty chip where other test programs failed. Most faulty SIMMs (RAM chips) can apparently keep functioning until the system starts getting hot due to the duration and intensity of the computation in progress. So the memory test of a PC at boot time is really very unlikely to ever catch a bug, IMHO. Good luck, Frits Daalmans Frits Daalmans OIO Conformational Analysis Gorlaeus Laboratoria Leiden, The Netherlands E-mail: frits@chemde4.leidenuniv.nl Tel: [+31] (0)71-5274505 From visitorq@goliat.ugr.es Tue Mar 4 12:29:34 1997 Received: from goliat.ugr.es for visitorq@goliat.ugr.es by www.ccl.net (8.8.3/950822.1) id LAA28682; Tue, 4 Mar 1997 11:57:16 -0500 (EST) Received: (from visitorq@localhost) by goliat.ugr.es (8.8.5/8.7.3) id RAA11384; Tue, 4 Mar 1997 17:59:22 +0100 (MET) Date: Tue, 4 Mar 1997 17:59:16 +0100 (MET) From: Jose Molina Molina To: chemistry@www.ccl.net Subject: Aromaticity Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 Content-Transfer-Encoding: QUOTED-PRINTABLE Dear Thorsten: The following references can be useful fot you. Ref Number : 000001 1. Schleyer, P.V., Maerker, C., Dransfeld, A., Jiao, H.J., and Hommes, N.J.= R.V. Nucleus- Independent Chemical-Shifts - A Simple and Efficient Aromaticity Probe. J.A= MER.CHEM.SOC.=20 118:6317-6318, 1996.=20 Ref Number : 000003 1. Lloyd, D. What Is Aromaticity. J.CHEM.INFORM.COMPUT.SCI. 36:442-447, 199= 6.=20 Ref Number : 000004 1. Krygowski, T.M., Ciesielski, A., and Cyranski, M. Aromatic Character of = the Cyclopentadienyl=20 Moiety Embedded in Various Chemical Environments - A Statistical Treatment = of the Structural=20 Data. J.MOL.STRUCT. 374:277-290, 1996.=20 Ref Number : 000005 1. Jiao, H.J., Hommes, N.J.R.V., Schleyer, P.V., and Demeijere, A. (5)Peric= yclynes Are Not=20 Homoaromatic. J.ORG.CHEM. 61:2826-2828, 1996.=20 Ref Number : 000006 1. Katritzky, A.R., Karelson, M., and Wells, A.P. Aromaticity as a Quantita= tive Concept .6.=20 Aromaticity Variation with Molecular Environment. J.ORG.CHEM. 61:1619-1623,= 1996.=20 Ref Number : 000007 1. Burk, P., Abboud, J.L.M., and Koppel, I.A. Aromaticity of Substituted Cy= clopropenes - A=20 Theoretical-Study. J.PHYS.CHEM. 100:6992-6997, 1996.=20 Ref Number : 000008 1. Nyulaszi, L. and Veszpremi, T. Nature of Bonding in Cyclic Conjugated Yl= ides. J.PHYS.CHEM.=20 100:6456-6462, 1996.=20 Ref Number : 000010 1. Goldfuss, B., Schleyer, P.V., and Hampel, F. Aromaticity in Silole Diani= ons - Structural, Energetic,=20 and Magnetic Aspects. ORGANOMETALLICS. 15:1755-1757, 1996.=20 Ref Number : 000011 1. Schleyer, P.V. and Jiao, H.J. What Is Aromaticity. PURE.APPL.CHEM. 68:20= 9-218, 1996.=20 Reprint: On Request (02/10/96) Keyword : solicitado a Madrid; Ref Number : 000012 1. Malar, E.J.P. Sindo1 Investigations on the Low-Lying States of Some 3 Me= mbered Antiaromatic=20 Systems. TETRAHEDRON 52:4709-4718, 1996.=20 Ref Number : 000013 1. Krygowski, T.M. and Cyranski, M. Separation of the Energetic and Geometr= ic Contributions to the=20 Aromaticity of Pi-Electron Carbocyclics. TETRAHEDRON 52:1713-1722, 1996.=20 The separation is applied to five-, six- and seven-membered rings in typica= l pi- electron systems=20 (benzenoid hydrocarbons, fullerenes, fulvene and heptafulvene derivatives) Ref Number : 000014 1. Furusaki, A. Direct Assessment of Sigma-Aromaticity in 3-Membered Rings = by Perturbation- Theory. THEOCHEM.J.MOL.STRUCT. 362:365-377, 1996.=20 Ref Number : 000015 1. Nyulaszi, L., Varnai, P., and Veszpremi, T. About the Aromaticity of 5-M= embered Heterocycles.=20 THEOCHEM.J.MOL.STRUCT. 358:55-61, 1995.=20 Ref Number : 000016 1. Heinemann, C., Muller, T., Apeloig, Y., and Schwarz, H. On the Question = of Stability, Conjugation,=20 and Aromaticity in Imidazol-2-Ylidenes and Their Silicon Analogs. J.AMER.CH= EM.SOC. 118:2023- 2038, 1996.=20 Best regards, =09=09REDOUAN EL BERGMI GRUPO DE MODELIZACION Y DISE=D1O MOLECULAR UNIVERSIDAD DE GRANADA SPAIN On Mon, 3 Mar 1997, Thorsten Koch wrote: >=20 > Dear CClers! >=20 > At the moment I am doing calculations which have to do with aromaticity.= =20 > Is anyone in the CCL community aware of any recent references or reviews= =20 > on what aramaticity actually is and how it can be defined and/or computed= =20 > and/or measured? The articles I read about this topic are mainly from the= =20 > 70's. > Any help will be appreciated. >=20 > Bye, Thorsten >=20 >=20 >=20 > /-----------------------------------------------------------------\ > | Thorsten Koch | > | Institut fuer Physikalische Chemie II der Universitaet zu Koeln | > | Luxemburger Str. 116, 50939 Koeln, Germany | > | acp37@.uni-koeln.de | > | Tel. +49 [0]221 470 4816 | > \-----------------------------------------------------------------/ From ccl@www.ccl.net Wed Mar 5 08:27:16 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id IAA04600; Wed, 5 Mar 1997 08:10:19 -0500 (EST) Received: from hrz-fserv7.hrz.uni-kassel.de for gdanitz@hrz-serv1.hrz.uni-kassel.de by bedrock.ccl.net (8.8.3/950822.1) id IAA25006; Wed, 5 Mar 1997 08:10:15 -0500 (EST) Received: from hrz-serv1.hrz.uni-kassel.de (hrz-serv1.hrz.uni-kassel.de [141.51.192.30]) by hrz-fserv7.hrz.uni-kassel.de (8.8.5/8.8.5) with ESMTP id OAA36848 for ; Wed, 5 Mar 1997 14:10:14 +0100 Received: (from gdanitz@localhost) by hrz-serv1.hrz.uni-kassel.de (8.8.5/8.8.5) id OAA23727 for chemistry@ccl.net; Wed, 5 Mar 1997 14:10:13 +0100 From: Robert Gdanitz Message-Id: <199703051310.OAA23727@hrz-serv1.hrz.uni-kassel.de> Subject: Prog. to calc. rovibronic spectrum of diatomic needed To: chemistry@ccl.net (Computational Chemistry List) Date: Wed, 5 Mar 1997 14:10:13 +0100 (MEZ) X-Mailer: ELM [version 2.4 PL24 PGP3 *ALPHA*] MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit Dear Netters: Can anybody tell me where to get (free!) software to compute the rotational and vibrational spectrum of a diatomic molecule as well as spectroscopic constants (De, Re, omega_e, etc.) from a given potential energy surface by solving the Schroedinger equation for the nuclear motion ? It would be nice if the program would also be able to fit the usual primitive functions to a set of data points, but I could also use e.g. Mathematica for this. Thank You in advance! Regards, Robert -- +-----+ Robert J. Gdanitz email: gdanitz@hrz.uni-kassel.de | GhK | Gesamthochschule Kassel Tel.: +(49) 561-804-4120 | | Fachbereich 18 (Physik) Fax: +(49) 561-804-4006 +-----+ D-34109 Kassel, Germany From samford@picasso.chem.uab.edu Wed Mar 5 15:27:19 1997 Received: from picasso.chem.uab.edu for samford@picasso.chem.uab.edu by www.ccl.net (8.8.3/950822.1) id OAA08622; Wed, 5 Mar 1997 14:39:50 -0500 (EST) Received: from picasso (picasso.chem.uab.edu [138.26.72.15]) by picasso.chem.uab.edu (AIX4.2/UCB 8.7/8.7) with SMTP id NAA22496 for ; Wed, 5 Mar 1997 13:30:39 -0600 (CST) Sender: samford@picasso.chem.uab.edu Message-ID: <331DC9DF.446B@picasso.chem.uab.edu> Date: Wed, 05 Mar 1997 13:30:39 -0600 From: Morgan Ponder X-Mailer: Mozilla 3.0Gold (X11; I; AIX 2) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: SETCA 26 Content-Type: text/plain; charset=us-ascii; name="setca" Content-Transfer-Encoding: 7bit Content-Disposition: inline; filename="setca" The 26th Southeast Theoretical Chemistry Association (SETCA) will meet on May 16 and 17, 1997, at the University of Alabama at Birmingham in Birmingham, Alabama. A block of rooms has been reserved at the Radisson Hotel Birmingham, located at 808 South 20th St., which is walking distance to the campus meeting site, the Hill University Center Room 412-413. The SETCA rate is $68 (+8% tax) for single or double occupancy, and is guaranteed until the end of April. Be sure to mention that you are attending SETCA. You must make your own reservations by calling the hotel directly at 205-933-9000 or by using the toll-free number 1-800-333-3333. The Radisson offers complementary transportation to the airport, and free parking in the parking deck for guests. We plan to roughly follow the traditional format of a mixture of talks and posters, with perhaps a panel discussion. An informal reception will also be held in the Hill University Center on Thursday night, May 15, from 6:00 to 9:30 p.m. A banquet will be held Friday night at 7:30 p.m. The registration fee is $20 and covers the cost of the banquet. Tickets for non-SETCA attendees (please give the names) are $15 if they wish to attend the banquet. Dinner reservations and checks (payable to UAB Department of Chemistry) should be mailed to Tracy Hamilton, Department of Chemistry, University of Alabama at Birmingham, Birmingham, AL, 35294-1240, and must be received by April 30. Registration can be done over the Web (http://sleeper.chem.uab.edu) or by mail at the address given above. The deadline for registration is also April 30. The list of participants who register by WWW will be on a list that is publicly available at the SETCA 26 Web site. The final program, and information on UAB and Birmingham, will be mailed in early May. If you are on the SETCA mailing list, you will also receive a hard copy of this notice through the mail. If you want to be added to or removed from the mailing list, send an email message to samford@picasso.chem.uab.edu. We hope to see you at SETCA 26, Tracy P. Hamilton, Morgan C. Ponder, and Kiet Nguyen March 4, 1997