From chemistry-request@server.ccl.net Thu May 4 05:32:34 2000 Received: from dual.fqspl.com.pl (dual.fqspl.com.pl [212.244.147.6]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA01610 for ; Thu, 4 May 2000 05:32:31 -0400 Received: from victor (victor.fqspl.com.pl [10.10.10.5]) by dual.fqspl.com.pl (8.9.3/8.9.3) with SMTP id KAA01137 for ; Thu, 4 May 2000 10:36:52 +0200 Message-ID: <004301bfb5ab$0b4fd6c0$050a0a0a@victor.fqspl.com.pl> From: "Victor Anisimov" To: Subject: Re: CCL:Quantum CAChe? Date: Thu, 4 May 2000 11:28:01 +0200 X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 4.72.3110.5 X-MimeOLE: Produced By Microsoft MimeOLE V4.72.3110.3 Hi, That's may be not so useless idea to talk about strength and weakness of particular commercial software on CCL, I think. It will also give good feedback for developers of these programs. -----Original Message----- From: Yeoh Hak Koon Subject: CCL:Quantum CAChe? :Could somebody who has experience using this software share some views :on its suitability in the following? : :(a) Goodness in UV-Vis spectra simulation : overall shape and lambda max :for transition metal complexes. My main interest is in 3rd. row :transition elements. CAChe uses ZINDO for UV-Vis spectra calculations. It is general spectroscopical semiempirical engine. Results of better quality for transition metals can be obtained by MOPAC2000, but it supports only Fe, Pt, Cu, Ag, Mo elements. If compounds of these elements are subject of semiempirical research then one may need to consider MOPAC2000 as a solution because quality of these parameters are really good. :(b) Solvation models, mainly of water. How well it incorporates its :effects on orbital energies, and UV-Vis spectra? As far as I know ZINDO does not support solvent effects. Please correct me if I am wrong. Solvent simulations for UV-Vis spectra can be done by MOPAC2000. Transition metals are not supported yet for this kind of calculations but gas phase UV spectra can be calculated. :(c) Any other points that you wish to highlight for consideration...like :recommending another software! If one needs better precision than semiempirical methods can provide then DFT methods can be considered first as a cost effective solution. CAChe includes DGauss module that can do this work. CAChe does not include ab initio module but it may not be extremely necessary. Keeping in mind that CAChe has been designed for synthetic chemists who work with practical size molecules (but not model ones) and need easy to use and fast computational tools then set of molecular mechanics and semiempirical methods together with DFT engine provides robust solution for most of computational chemistry problems. This is a choice that we do as researches, either we solve theoretical chemistry problem then one may need such tools like Jaguar Titan, for example, or we solve a problem of a chemical experiment for what CAChe has been designed I think perfectly. With best regards, Victor. ========================================================================= Victor Anisimov, PhD, Software Researcher - Computational Chemistry FQS Poland, Palac Pugetow, ul. Starowislna 13-15, 31-038 Krakow, Poland Email: victor@fqspl.com.pl Tel.(+48 12) 429 4345 Fax(+48 12) 429 6124 ========================================================================= From chemistry-request@server.ccl.net Thu May 4 05:46:37 2000 Received: from oxmail.ox.ac.uk (oxmail2.ox.ac.uk [163.1.2.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA01702 for ; Thu, 4 May 2000 05:46:36 -0400 Received: from ermine.ox.ac.uk ([163.1.2.13]) by oxmail.ox.ac.uk with esmtp (Exim 3.12 #1) id 12nIDB-0002x5-00 for chemistry@ccl.net; Thu, 04 May 2000 10:46:25 +0100 Received: from ivan (helo=localhost) by ermine.ox.ac.uk with local-esmtp (Exim 3.13 #1) id 12nIDA-0007VY-00 for chemistry@ccl.net; Thu, 04 May 2000 10:46:24 +0100 Date: Thu, 4 May 2000 10:46:24 +0100 (BST) From: "Ivan I. Oleinik" To: CCL Subject: TB-LMTO-ASA Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear colleagues, Maybe I am appealing to a wrong audience, but I found some discussions in CCL about computational solid state theory. Hopefully people from solid state community also read CCL mailing. I am trying to analyze the ab-initio results in terms of simple and chemically transparent orthogonal tight-binding model with minimal basis set. These are calculations for the system with periodic boundary conditions. I know that this can be automatically done within Tight-binding LMTO program developed by Ole Andersen's group in Stuttgart. The code that we have in our group is mainly used for standard self-consistent LMTO calculations of electronic structure. The TB-LMTO-ASA manual is quite good but it does not contain description of extracting tight-binding parameters from LMTO data. Does anybody have an experience in this area to give some technical advice? Are there any proper technical notes with simple test examples? Thanks, Ivan Oleinik. ------------------------------------------------------------------------ Dr. Ivan I. Oleinik E-mail : ivan.oleinik@materials.ox.ac.uk Department of Materials University of Oxford Parks Road Oxford OX1 3PH Tel : +44 (0)1865 283325 United Kingdom Fax : +44 (0)1865 273764 ------------------------------------------------------------------------ From chemistry-request@server.ccl.net Thu May 4 06:00:52 2000 Received: from gpo.cam.msi-eu.com (cam.msi-eu.com [192.190.183.254]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id GAA01788 for ; Thu, 4 May 2000 06:00:51 -0400 Received: from msi-eu.com (dhcp105.cam.msi-eu.com [172.27.65.105]) by gpo.cam.msi-eu.com (8.9.3/8.9.3/Debian/GNU) with ESMTP id KAA24640 for ; Thu, 4 May 2000 10:58:40 +0100 Message-ID: <391149D0.8C7D046F@msi-eu.com> Date: Thu, 04 May 2000 10:58:40 +0100 From: Stephen Todd X-Mailer: Mozilla 4.7 [en] (WinNT; I) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: QSPR data sets Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi there, I am currently trying to write a tutorial based on QSPR. However, I cannot find complete data sets and the descriptors I would need. This can be a QSPR on any materials science related subject and must include all the experimental information/datasets that I would need. I would be writing this tutorial using the Cerius2 qsar package. Does anyone know of any freely available datasets that I can use ? Cheers in advance. Stephen Todd -- Dr Stephen Todd Materials Science - Training tel: +44 1223 507568 Molecular Simulations Ltd fax: +44 1223 413301 240/250 The Quorum email: stodd@msi-eu.com Barnwell Road Cambridge CB5 8RE England From chemistry-request@server.ccl.net Thu May 4 10:16:14 2000 Received: from pollux.chem.umn.edu (pollux.chem.umn.edu [128.101.156.56]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA03920 for ; Thu, 4 May 2000 10:16:14 -0400 Received: (from cramer@localhost) by pollux.chem.umn.edu (8.9.3/8.9.3) id JAA19263; Thu, 4 May 2000 09:16:01 -0500 (CDT) From: Christopher Cramer Message-Id: <200005041416.JAA19263@pollux.chem.umn.edu> Subject: CCL:Quantum CAChe? (fwd) To: chemistry@ccl.net Date: Thu, 4 May 2000 09:16:01 -0500 (CDT) Cc: truhlar@chem.umn.edu (Don Truhlar), jli@pollux.chem.umn.edu (Jiabo Li) X-Mailer: ELM [version 2.5 PL2] MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Re: > > :(b) Solvation models, mainly of water. How well it incorporates its > :effects on orbital energies, and UV-Vis spectra? > > > As far as I know ZINDO does not support solvent effects. Please correct me > if I am wrong. Solvent simulations for UV-Vis spectra can be done by > MOPAC2000. Transition metals are not supported yet for this kind of > calculations but gas phase UV spectra can be calculated. > Mike Zerner and his group worked with us in incorporating the Vertical Electrostatic Model 4.2 (VEM42) into ZINDO, which allows calculation of solvent effects on vertical excitation energies and accounts separately for the fast and slow parts of the solvent response. Full details of the model (and a discussion of other relevant approaches) are available in Li, J.; Cramer, C. J.; Truhlar, D. G. "A Two-Response-Time Model Based on CM2/INDO/S2 Electrostatic Potentials for the Dielectric Polarization Component of Solvatochromic Shifts on Vertical Excitation Energies" Int. J. Quant. Chem. 2000, 77, 264. While this paper does not provide solvation parameters for transition metals, such a parameterization would be quite straightforward. Chris Cramer -- Christopher J. Cramer University of Minnesota Department of Chemistry 207 Pleasant St. SE Minneapolis, MN 55455-0431 -------------------------- Phone: (612) 624-0859 || FAX: (612) 626-2006 cramer@pollux.chem.umn.edu http://pollux.chem.umn.edu/~cramer From chemistry-request@server.ccl.net Thu May 4 12:25:51 2000 Received: from mailer.psc.edu (mailer.psc.edu [128.182.58.100]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA04502 for ; Thu, 4 May 2000 12:25:50 -0400 Received: from pscuxc.psc.edu (pscuxc.psc.edu [128.182.66.177]) by mailer.psc.edu (8.9.3/8.9.3/psc) with ESMTP id MAA07667; Thu, 4 May 2000 12:25:37 -0400 (EDT) Received: from localhost (wymore@localhost) by pscuxc.psc.edu (8.9.3/8.9.3/psc) with ESMTP id MAA29767; Thu, 4 May 2000 12:25:36 -0400 (EDT) Date: Thu, 4 May 2000 12:25:36 -0400 (EDT) From: Troy Wymore To: amber@cgl.ucsf.edu cc: charmm-bbs@csir.org, chemistry@server.ccl.net Subject: NMR Biomolecular Structure Determination Workshop In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII ************************************************************* PSC BIOMEDICAL INITIATIVE WORKSHOPS 2000 STRUCTURE DETERMINATION USING NMR JULY 26-29 Application Deadline: June 14 The objective of this workshop is to introduce participants to the different techniques for the elucidation of solution structures of biological macromolecules from nuclear magnetic resonance data. The programs AMBER and MORASS will be discussed. In addition to lectures, there will be extensive hands-on sessions. Participants are encouraged to work on the examples provided or on their own experimental data. No prior supercomputing experience is necessary. For specific details, including an electronic application form, see: http://www.psc.edu/biomed/workshops/workshops.htm#NMR If you have any questions, please contact Nancy Blankenstein at blankens@psc.edu or 412/268-4960 (FAX). Many thanks for your interest and help. ******************************************************************************* From chemistry-request@server.ccl.net Thu May 4 04:26:52 2000 Received: from mail.unifi.it (mail.unifi.it [150.217.1.31]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id EAA01280 for ; Thu, 4 May 2000 04:26:51 -0400 Received: from blu.chim1.unifi.it by unifi.it (PMDF V5.2-32 #38165) with ESMTP id <01JOZYWSD4DM0005M1@unifi.it> for chemistry@ccl.net; Thu, 4 May 2000 10:26:38 MET Received: (from uucp@localhost) by blu.chim1.unifi.it (AIX4.2/UCB 8.7/8.7) id DAA15842 for ; Thu, 04 May 2000 03:25:57 -0500 (CDT) Received: from UNKNOWN(150.217.39.51), claiming to be "chim1.unifi.it" via SMTP by blu, id smtpddzonEa; Thu May 4 03:25:51 2000 Date: Thu, 04 May 2000 10:32:11 +0200 From: Alessandro Bencini Subject: SCQC-2000: Call fo Participants To: chemistry@ccl.net Message-id: <3911358B.D2010B67@chim1.unifi.it> Organization: Dipartimento di Chimica MIME-version: 1.0 X-Mailer: Mozilla 4.5 [en] (Win98; I) Content-type: text/plain; charset=iso-8859-1 Content-transfer-encoding: 8BIT X-Accept-Language: en Dear Colleagues, enclosed please find the information on the SCQC-2000 Summer School. I would greatly appreciate if could send the information to all the interested persons in your groups. I apologize if you will receive this mail also from other mailing lists. Regards, Alessandro ______________________________________________________________________ Second Summerschool on Computational Quantum Chemistry SCQC-2000 Milan, Italy, July 24-28, 2000 CALL FOR PARTICIPANTS The goal of the Summerschool (SCQC-2000) is to introduce the participants to the methodologies of modern quantum chemical computation. The course is directed towards young researchers who apply (or who plan on applying) computation to their own research. The school will mainly focus on practical aspects of computational quantum chemistry, and is built around a kernel of "hands-on" exercises. The exercises are accompanied by a series of lectures which illustrate the methodologies used in the practical assignments. The first three days cover topics of general interest. During the last two days the participants will be free to select practical assignments among the following subjects: Calculations of ESR-NMR Spectra; Molecular Magnetism; Applications of DFT to the calculations of excited states or Ab initio Molecular Dynamics. LOCATION and SCIENTIFIC ACTIVITY: The first edition of the SCQC was held in Manno (CH), July 27-31, 1998. The second edition will be hosted by CILEA (Consorzio Interuniversitario Lombardo per l'Elaborazione Automatica) in Segrate (MI), Italy. Current topics in Computational Quantum Chemistry will be covered by lectures: * Hartree-Fock theory and Electron correlation , H.P. Lüthi, ETHZ, Zurich,CH * Density Functional Theory A. Goursot, ENSCM, Montpellier, F * The Potential Energy Surface J. B. Foresman, York College of PA, USA * Electron Density Analysis and Observables , S. Polezzo, Univ. of Milano-Bicocca, I * Correlated Methods , P. Fantucci, University of Milano -Bicocca, It * Solute-Solvent Interactions V. Barone, Universitty of Naples, I * Molecular Magnetic Properties A. Bencini, University of Florence, I * NMR and ESR spectroscopy V. Malkin, Slovak Acad. of Science, Bratislava,SL * Excited States R. Amos, Cambridge University, UK * Ab initio Molecular Dynamics , A. Sgamellotti, University of Perugia, I Practical assignment modules will make the students familiar with the use of the best computer programs for solution of chemical problems. IMPORTANT INFORMATIONS On-line information on SCQC-2000 will be found on the web site: http://www.cilea.it/Paginecorsi/CSCS/CSCS.htm Participants are kindly requested to fill the on-line Registration Form at the same location. The registration fee, which includes accommodation in a student house (23rd-27th july), all lunches and the social banquet, is of 500.000 Lit (252.00 Eur) or 650.000 Lit (310.00 Eur) for double and single room accommodation respectively. The number of participants is limited to 40, and an early reservation is needed due to the limited number of rooms available. The deadline for the registration is June 30, 2000. A few grants, in the form of partial refunding of the registration fee, will be available to young researchers on the basis of their curriculum vitae et studiorum. Application for grants should be made by e-mailing to Prof. P. Fantucci after completing the registration form. The Organizing Committee: Prof. Piercarlo Fantucci, (piercarlo.fantucci@unimib.it), Università di Milano-Bicocca, Milano , I. Prof. H.P. Lüthi, (luethi@igc.phys.chem.ethz.ch), ETH Zurich, CH. _______________________________________ Prof. Alessandro Bencini Università di Firenze Dipartimento di Chimica, Via Maragliano 75/77 50144 Firenze, Italia --------------------------------------- Tel: +39-0553216338; Fax: 39-(55)-354845 e-mail: sandro@chim1.unifi.it bencini@dada.it _______________________________________ From chemistry-request@server.ccl.net Thu May 4 09:27:43 2000 Received: from admin.cnrs-orleans.fr (admin.cnrs-orleans.fr [163.9.1.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA03718 for ; Thu, 4 May 2000 09:25:24 -0400 Received: from chinon.cnrs-orleans.fr (IDENT:root@chinon.cnrs-orleans.fr [163.9.6.107]) by admin.cnrs-orleans.fr (8.9.1a/jtpda-5.3.2) with ESMTP id PAA12496 ; Thu, 4 May 2000 15:24:52 +0200 (MET DST) Received: (from hinsen@localhost) by chinon.cnrs-orleans.fr (8.9.3/8.9.3) id PAA07131; Thu, 4 May 2000 15:24:12 +0200 Date: Thu, 4 May 2000 15:24:12 +0200 Message-Id: <200005041324.PAA07131@chinon.cnrs-orleans.fr> X-Authentication-Warning: chinon.cnrs-orleans.fr: hinsen set sender to hinsen@cnrs-orleans.fr using -f From: hinsen@dirac.cnrs-orleans.fr To: Jochen@pc1.uni-duesseldorf.de CC: chemistry@ccl.net In-reply-to: <14607.12187.879318.237673@yogi.pc1.uni-duesseldorf.de> (message from Jochen Kuepper on Tue, 2 May 2000 21:42:19 +0200 (CEST)) Subject: Re: CCL:Open Source scientific software References: <200002131232.HAA05833@server.ccl.net> <14607.12187.879318.237673@yogi.pc1.uni-duesseldorf.de> > > More than a bit of effort would be needed ! Old academic > > research ideas of free circulation of software are continuously > > decreasing, in spite of Linux. And Linux will probably not stay > > Sad enough, but I have to agree. Even free circulation of ideas is getting rarer, due to patents, intentionally withheld details in publications, etc. All of which is a consquence of a more and more "market-oriented" approach to science. Instead of encouraging scientists to become "profitable", research funding organizations ought to insist on the free dissemination of all results and byproducts (such as software) of all publicly funded research. > To my mind it is very much up to you to decide where we are going. If > we join efforts to make nice GUIs for our programs we do write anyway > (to be ahead), we will get them. > > If we pay scientific software vendors (the money they need) for > support and enhancements of their product instead of paying fees to > obtain it, and also favor OpenSource software (not saying "free beer" > software !) to closed source products, we will get them ! An interesting approach would be to commission (and pay) professional programmers to produce scientific software that is then made available as Open Source. That way you pay for what you want (the software) but not for what you don't need (the marketing and legal departments of software companies). -- ------------------------------------------------------------------------------- Konrad Hinsen | E-Mail: hinsen@cnrs-orleans.fr Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.55.69 Rue Charles Sadron | Fax: +33-2.38.63.15.17 45071 Orleans Cedex 2 | Deutsch/Esperanto/English/ France | Nederlands/Francais ------------------------------------------------------------------------------- From chemistry-request@server.ccl.net Thu May 4 04:30:17 2000 Received: from yogi.pc1.uni-duesseldorf.de (yogi.pc1.uni-duesseldorf.de [134.99.152.44]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id EAA01322 for ; Thu, 4 May 2000 04:30:11 -0400 Received: (from jochen@localhost) by yogi.pc1.uni-duesseldorf.de (8.9.3/8.9.3) id KAA00845; Thu, 4 May 2000 10:29:45 +0200 MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Message-ID: <14609.13560.784103.574714@yogi.pc1.uni-duesseldorf.de> Date: Thu, 4 May 2000 10:29:44 +0200 (CEST) From: Jochen Kuepper To: Roy Jensen CC: CCL Subject: Re: CCL:Sum: nonlinear regressions In-Reply-To: <0m52hs0lnn7d8t8hvetair31kdddsb92ii@4ax.com> References: <20000428125436.94966.qmail@hotmail.com> <14603.8140.852817.247935@yogi.pc1.uni-duesseldorf.de> <0m52hs0lnn7d8t8hvetair31kdddsb92ii@4ax.com> X-Mailer: VM 6.72 under 21.1 (patch 9) "Canyonlands" XEmacs Lucid Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id EAA01323 >>>>> "Roy" == Roy Jensen writes: > Jochen Seeing as I cited references that stated Solver worked > well, you should cite references to the contrary -- especially > with the extravagant claims you make. e.g. @Article{McCullough_CompStat31_27, author = {B. D. Mc Cullough and Bery Wilson}, title = {On the Accuracy of Statistical Procedures in Microsoft Excel}, journal = {Comput. Statist. Data Anal.}, year = 1999, volume = 31, pages = 27 } Jochen -- Heinrich-Heine-Universität Institut für Physikalische Chemie I Jochen Küpper Universitätsstr. 1, Geb. 26.43 Raum 02.29 40225 Düsseldorf, Germany phone ++49-211-8113681, fax ++49-211-8115195 http://www.Jochen-Kuepper.de From chemistry-request@server.ccl.net Thu May 4 18:28:50 2000 Received: from red.cache.fujitsu.com (root@red.cache.fujitsu.com [134.172.63.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id SAA06277 for ; Thu, 4 May 2000 18:28:49 -0400 Received: from daveg.fsba.com (DELL.cache.fujitsu.com [134.172.63.7]) by red.cache.fujitsu.com (8.9.3/8.9.3/3) with ESMTP id PAA03149; Thu, 4 May 2000 15:28:11 -0700 Message-Id: <4.3.0.20000504151909.00b571c0@red.cache.fujitsu.com> X-Sender: daveg@red.cache.fujitsu.com X-Mailer: QUALCOMM Windows Eudora Version 4.3 Date: Thu, 04 May 2000 15:24:58 -0700 To: From: David Gallagher Subject: Quantum CAChe? Cc: "Victor Anisimov" In-Reply-To: <004301bfb5ab$0b4fd6c0$050a0a0a@victor.fqspl.com.pl> Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed Regarding ZINDO in CAChe, it includes the SCRF solvation model, and CAChe MOPAC includes the COSMO solvation model. Regards David Gallagher, Fujitsu Systems Business of America, Inc. At 11:28 AM 5/4/00 +0200, Victor Anisimov wrote: >Hi, > >That's may be not so useless idea to talk about strength and weakness of >particular commercial software on CCL, I think. It will also give good >feedback for developers of these programs. > > >-----Original Message----- >From: Yeoh Hak Koon >Subject: CCL:Quantum CAChe? > > >:Could somebody who has experience using this software share some views >:on its suitability in the following? >: >:(a) Goodness in UV-Vis spectra simulation : overall shape and lambda max >:for transition metal complexes. My main interest is in 3rd. row >:transition elements. > > >CAChe uses ZINDO for UV-Vis spectra calculations. It is general >spectroscopical semiempirical engine. Results of better quality for transition >metals can be obtained by MOPAC2000, but it supports only Fe, Pt, Cu, Ag, Mo >elements. If compounds of these elements are subject of semiempirical >research then one may need to consider MOPAC2000 as a solution because >quality of these parameters are really good. > >:(b) Solvation models, mainly of water. How well it incorporates its >:effects on orbital energies, and UV-Vis spectra? > > >As far as I know ZINDO does not support solvent effects. Please correct me >if I am wrong. Solvent simulations for UV-Vis spectra can be done by >MOPAC2000. Transition metals are not supported yet for this kind of >calculations but gas phase UV spectra can be calculated. > >:(c) Any other points that you wish to highlight for consideration...like >:recommending another software! > > >If one needs better precision than semiempirical methods can provide then >DFT methods can be considered first as a cost effective solution. CAChe >includes DGauss module that can do this work. > >CAChe does not include ab initio module but it may not be extremely >necessary. Keeping in mind that CAChe has been designed for synthetic >chemists who work with practical size molecules (but not model ones) and >need easy to use and fast computational tools then set of molecular >mechanics and semiempirical methods together with DFT engine provides >robust solution for most of computational chemistry problems. > >This is a choice that we do as researches, either we solve theoretical >chemistry problem then one may need such tools like Jaguar Titan, for >example, or we solve a problem of a chemical experiment for what CAChe >has been designed I think perfectly. > > >With best regards, > >Victor. > >========================================================================= >Victor Anisimov, PhD, Software Researcher - Computational Chemistry >FQS Poland, Palac Pugetow, ul. Starowislna 13-15, 31-038 Krakow, Poland >Email: victor@fqspl.com.pl Tel.(+48 12) 429 4345 Fax(+48 12) 429 6124 >========================================================================= > > > > >-= This is automatically added to each message by mailing script =- >CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To >Admins >MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH >CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 >Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > >