From chemistry-request@www.ccl.net Thu Jan 21 02:50:05 1999 Received: from alpha.luc.ac.be (alpha.luc.ac.be [193.190.2.30]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id CAA06311 Thu, 21 Jan 1999 02:50:04 -0500 (EST) Received: from alpha (alpha [193.190.2.30]) by alpha.luc.ac.be (8.9.2/8.9.1) with ESMTP id IAA20896 for ; Thu, 21 Jan 1999 08:50:14 +0100 (MET) Date: Thu, 21 Jan 1999 08:50:13 +0100 (MET) From: Sergiusz Kwasniewski To: CCL Subject: MOPAC-MECI Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL'ers, I have a question concerning the MECI calculation inside MOPAC93R2. In the manual they mention a MECI calculation up till C.I.=8. But this only gives good results in addition with some other keywords, like MICROS. Now my question is the following: can I for example use a C.I.=10 or more, in combination with CIS (is this one of the additional keywords), without changing the NMECI parameter in SIZES? I guess that it should work quite well, as CIS puts a big restriction on the microstates that are possibly going to be considered. (NMECI is currently set to 11, i.e. 32 microstates for C.I.=8 and 50 for C.I.=10). Thanks in advance, S. Kwasniewski ****************************** Sergiusz P. Kwasniewski Limburgs Universitair Centrum Universitaire Campus, Gebouw D 3590 Diepenbeek BELGIUM Tel. (+32) (0)11/26.83.15 Fax. (+32) (0)11/26.83.01 e-mail: sergiusz.kwasniewski@luc.ac.be ****************************** From chemistry-request@www.ccl.net Wed Jan 20 03:38:25 1999 Received: from mml.ch.pwr.wroc.pl (pkmk486.ch.pwr.wroc.pl [156.17.55.135]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id DAA28708 Wed, 20 Jan 1999 03:38:19 -0500 (EST) Received: (from dziekons@localhost) by mml.ch.pwr.wroc.pl (8.8.0/8.8.0) id JAA09221 for chemistry@www.ccl.net; Wed, 20 Jan 1999 09:45:35 +0100 Date: Wed, 20 Jan 1999 09:45:35 +0100 From: =?iso-8859-2?Q?Pawe=B3_Dzieko=F1ski?= To: chemistry@www.ccl.net Subject: Looking for original 1993 source version of US GAMESS Message-ID: <19990120094534.A9189@pkmk486.ch.pwr.wroc.pl> Reply-To: pdziekonski@pkmk486.ch.pwr.wroc.pl Mime-Version: 1.0 Content-Type: text/plain; charset=iso-8859-2 Content-Transfer-Encoding: 8bit X-Mailer: Mutt 0.95i X-Useless-Header: Vim powered ;^) We are looking for copy of the original source version of US GAMESS from 1993 (not the later versions !). Unfortunately this particular version has not been archived by GAMESS developers and we only hope now that someone preserved it in private archives. Please respond directly to gora@pkmk486.ch.pwr.wroc.pl or dziekons@pkmk486.ch.pwr.wroc.pl Robert Gora and Pawel Dziekonski -- Paweł Dziekoński, call me Dzieko | Wroclaw University of Technology pdziekonski@mml.ch.pwr.wroc.pl | Molecular Modelling Lab http://ozon.ch.pwr.wroc.pl/dzieko | POLAND From chemistry-request@www.ccl.net Wed Jan 20 07:14:29 1999 Received: from ns.dsm.nl (ns.dsm.nl [163.175.153.2]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id HAA00028 Wed, 20 Jan 1999 07:14:23 -0500 (EST) From: Steven.Creve@dsm-group.com Received: from dsm-fw1. (dsm-fw1.dsm.nl [163.175.153.254]) by ns.dsm.nl (8.8.6/MQT) with SMTP id NAA10755 for ; Wed, 20 Jan 1999 13:20:21 +0100 (MET) Received: from localhost (root@localhost) by dsm-om1.dsm.nl (8.8.6/MQT) with SMTP id HAA08132 for CHEMISTRY@www.ccl.net;Wed, 20 Jan 1999 07:12:47 -0500 ("EST) X-OpenMail-Hops: 5 Date: Wed, 20 Jan 1999 13:14:28 +0100 X-OpenMail-Transport-Id: <041EB36A5C8A402C/NL/400net/DSM/36A5C756.10DD.5EB6.000> Message-Id: <"36A5C756.10DD.5EB6.000*Creve_Steven_SJR//RESEARCH/NL/400net/DSM"@MHS> Subject: CCL:Q:Accessible surface of Metal atom MIME-Version: 1.0 TO: CHEMISTRY@www.ccl.net Content-Type: text/plain; charset=US-ASCII Content-Disposition: inline Content-Transfer-Encoding: 7bit Hi all, Suppose you have a transition metal complex. How can one quantify the 'accessible surface' of the metal atom for an incoming ligand? Do there exist any software packages that yield quantities like that or related to that? Thank you, Steven Creve DSM Research Geleen The Netherlands steven.creve@dsm-group.com From chemistry-request@www.ccl.net Wed Jan 20 08:36:47 1999 Received: from modeling.farma.unige.it (modeling.farma.unige.it [130.251.75.66]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id IAA00505 Wed, 20 Jan 1999 08:36:39 -0500 (EST) Received: (from lopresti@localhost) by modeling.farma.unige.it (940816.SGI.8.6.9/950213.SGI.AUTOCF) id OAA03825 for chemistry@www.ccl.net; Wed, 20 Jan 1999 14:35:16 +0100 From: "lo presti eleonora" Message-Id: <9901201435.ZM3823@modeling.farma.unige.it> Date: Wed, 20 Jan 1999 14:35:11 +0100 X-Mailer: Z-Mail (3.2.2 10apr95 MediaMail) To: chemistry@www.ccl.net Subject: analysis of conformers Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hi CCLers, could anybody point me to a program which allows to handle the large amounts of data produced by conformational searches (for example MonteCarlo search), in particular remove duplicate conformations and cluster the results from conformation searches? I'll summarize the responses. Thanks in advance. Eleonora -- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Eleonora Lo Presti Dip. Scienze Farmaceutiche - Facolta' di Farmacia Universita' di Genova - Viale Benedetto XV, 3 - 16145 Genova Italy lopresti@modeling.farma.unige.it ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From chemistry-request@www.ccl.net Wed Jan 20 13:23:31 1999 Received: from hotmail.com (law-f106.hotmail.com [209.185.131.169]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id NAA03013 Wed, 20 Jan 1999 13:23:29 -0500 (EST) Received: (qmail 24518 invoked by uid 0); 20 Jan 1999 18:22:52 -0000 Message-ID: <19990120182252.24517.qmail@hotmail.com> Received: from 128.255.138.54 by www.hotmail.com with HTTP; Wed, 20 Jan 1999 10:22:52 PST X-Originating-IP: [128.255.138.54] From: "Conrad Jones" To: CHEMISTRY@www.ccl.net Subject: Interested in computational chemistry Date: Wed, 20 Jan 1999 10:22:52 PST Mime-Version: 1.0 Content-Type: text/plain Hello CCLers, My name is Conrad Jones and I'm a graduate student at the Univ. of Iowa. The area I plan in doing my Ph.D work in is computational chemistry. I would like to know the various employment opportunities for a Ph.D computational chemist outside of academia such as consulting. In addition, I would also like salary information for a comp. chemists and what major computer programs must I need to know to be a very efficient comp. chemist. Please respond as soon as possible. Have a nice day. Conrad ______________________________________________________ Get Your Private, Free Email at http://www.hotmail.com From chemistry-request@www.ccl.net Thu Jan 21 10:46:00 1999 Received: from cfd.chemse.gatech.edu (cfd.chemse.gatech.edu [130.207.71.251]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id KAA08684 Thu, 21 Jan 1999 10:45:59 -0500 (EST) Received: from tedder (tedder.chemse.gatech.edu [130.207.75.15]) by cfd.chemse.gatech.edu (8.8.5/8.8.5) with SMTP id KAA03952; Thu, 21 Jan 1999 10:49:28 -0500 Message-Id: <199901211549.KAA03952@cfd.chemse.gatech.edu> X-Sender: dtedder@cfd.chemse.gatech.edu X-Mailer: QUALCOMM Windows Eudora Pro Version 4.0.1 Date: Thu, 21 Jan 1999 10:40:45 -0500 To: daniel.tedder@che.gatech.edu From: Dan Tedder Subject: Call For Papers Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: danieltedder@yahoo.com Call for Abstracts Emerging Technologies in Hazardous Waste Management Sponsored by the I&EC Division ACS 218th National Meeting August 22-26, 1999, New Orleans, Louisiana Papers and presentations are invited that describe emerging technologies for treating gaseous, liquid or solid hazardous wastes. Contributors may focus on aspects ranging from fundamental research to demonstration programs for new technologies. Emerging technologies which may be applied to a variety of waste streams are particularly encouraged. Specific applications may include waste treatment for steel and metal manufacturing, oil refining, coal processing, textile, paint and dye production, chemical and pharmaceuticals manufacturing, and nuclear reactor and reprocessing operations. Technologies for water purification or the treatment of leachates from hazardous landfills or contaminated soils are also appropriate. Emerging technologies for other wastes and review articles will be considered. An independent peer review of all full manuscripts will be coordinated by the symposium coordinators and editorial review board to meet ACS standards. One or more books will be published from the full manuscripts after editing and review. SEND SHORT ABSTRACTS BY MARCH 15, 1999 TO: Dr. Dan W. Tedder I &EC Symposium Chair School of Chemical Engineering Georgia Institute of Technology Atlanta, GA 30332-0100 Camera-ready abstracts (one paragraph, 150 words or less) should be submitted on the standard ACS abstract form or plain white paper. For more information about abstract preparation go to http://www.acs.org/meetings/abstract/abinfo.html. For more information about the location of the symposium go to: http://www.acs.org/meetings/future/newnewo.htm. For more information about the I&EC Division, go to: http://membership.acs.org/i/iec/. Contributors will be notified of acceptance by May 23, 1999. E-mail the organizers: daniel.tedder@che.gatech.edu. Dan Tedder School of Chemical Engineering Georgia Institute of Technology 778 Atlantic Drive Atlanta, GA 30332-0100 USA E-Mail: daniel.tedder@che.gatech.edu Fax: 404-894-2866 Phone: 404-894-2856 From chemistry-request@www.ccl.net Thu Jan 21 11:07:06 1999 Received: from sg2.csrsrc.mi.cnr.it (sg2.csrsrc.mi.cnr.it [155.253.3.253]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id LAA09348 Thu, 21 Jan 1999 11:06:59 -0500 (EST) Received: from localhost by sg2.csrsrc.mi.cnr.it via SMTP (951211.SGI.8.6.12.PATCH1042/951211.SGI.AUTO) for id RAA13626; Thu, 21 Jan 1999 17:13:18 -0800 Date: Thu, 21 Jan 1999 17:13:15 -0800 From: Alessandra Villa To: chemistry@www.ccl.net Subject: Summary : ab initio NMR calculation (paramegnetic system) Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII I thank you all the persons that answer me and try to help me I summary the answers (4) , maybe it could be halpfull some someone else. Best Regards Alessandra Questions: > > Dear All, > > I wonder if someone have performed ab initio NMR > shielding tensor calculations on paramagnetic compounds by means of GIAO > or CSGT methods. > Could you point me some paper concerning the argument? or could you > write me your knowledge about the reliability of GIAO and CSGT NMR > shielding tensor calculations on paramagnetic molecules? > I will summary all the answers. > Thank you > > Alessandra Answers: ***************************************************************************** From: "Y. Tantirungrotechai" You might like to ask Dr. K. Ruud who implement GIAO in Dalton. I asked to Dr. K. Ruud, follow his answer From:Kenneth Ruud As far as I know from reading about the NMR of paramagnetic molecules, there are no problem in calculating the NMR parameters of such compounds. There might be important higher-order contributions from e.g.spin-orbit coupling. However, these may aso be calculated with e.g. Dalton. The main problem is normally that programs cannot easily or accurate treat open-shell systems. Dalton should be able to do a fair job on these systems. ***************************************************************************** From: Georg Schreckenbach I have read statements like "truly quantitative calculations of chemical shifts for paramagnetic compounds have not yet been reported" (B=FChl et al., J. Comp. Chem. 1999, 20, 91) whi= ch supports this view. ***************************************************************************** From: Douglas J. Fox Cheeseman, et. al. looked at this when implementing the procedures for Gaussian94. J. Chem. Phys. vol 104, pp 5497 (1996). ***************************************************************************** From:Noah W. Allen, III You might want to check a review article by A.C. de Dios found in the "Journal of Progess in NMR Spectroscopy", 82 (1985) 5035. It's an excellent source of review for this material. ******************************************************************************* Alessandra Villa ale@sg2.csrsrc.mi.cnr.it PhD-Student Dipartimento di Chimica Fisica ed Elettrochimica Universtita' degli Studi di Milano via Golgi 19 20133 Milano-Italy ******************************************************************************* From chemistry-request@www.ccl.net Thu Jan 21 12:32:27 1999 Received: from comsig.nibsc.ac.uk (comsig.nibsc.ac.uk [193.62.43.13]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id MAA10659 Thu, 21 Jan 1999 12:32:24 -0500 (EST) Received: from nibsc.ac.uk (dlinmf.nibsc.ac.uk [193.62.42.144]) by comsig.nibsc.ac.uk (980427.SGI.8.8.8/970903.SGI.AUTOCF) via ESMTP id RAA24798; Thu, 21 Jan 1999 17:31:17 GMT Message-ID: <36A7649C.E832A309@nibsc.ac.uk> Date: Thu, 21 Jan 1999 17:32:12 +0000 From: Mark Forster Organization: NIBSC X-Mailer: Mozilla 4.05 [en] (Win95; I) MIME-Version: 1.0 To: Steven.Creve@dsm-group.com, chemistry@www.ccl.net Subject: Re: CCL:CCL:Q:Accessible surface of Metal atom References: <"36A5C756.10DD.5EB6.000*Creve_Steven_SJR//RESEARCH/NL/400net/DSM"@MHS> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Steve I would like to suggest the program 'NACCESS' by Simon Hubbard, although designed for protein use it is quite general. I recently tried it on an iridium complex for example. For commercial users a (small) fee is charged. See the WWW page http://sjh.bi.umist.ac.uk/naccess.html Steven.Creve@dsm-group.com wrote: > Hi all, > > Suppose you have a transition metal complex. How can one quantify the > 'accessible surface' of the metal atom for an incoming ligand? Do there exist > any software packages that yield quantities like that or related to that? > > Thank you, > > Steven Creve > DSM Research > Geleen > The Netherlands > steven.creve@dsm-group.com > > --- > Administrivia: This message is automatically appended by the mail exploder: > 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 > --- -- Dr Mark J Forster Ph.D. Principal Scientist Informatics Laboratory National Institute for Biological Standards and Control Blanche Lane, South Mimms, Hertfordshire EN6 3QG, United Kingdom. Tel +44 (0)1707 654753 FAX +44 (0)1707 646730 E-mail mforster@nibsc.ac.uk From chemistry-request@www.ccl.net Thu Jan 21 13:34:10 1999 Received: from helios (helios.us.es [150.214.145.65]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id NAA11239 Thu, 21 Jan 1999 13:34:08 -0500 (EST) Received: by helios; id AA10433; Thu, 21 Jan 1999 20:39:34 GMT From: Norge Cruz Hernandez Message-Id: <9901212039.AA10433@helios> Subject: About fitting charge density. To: chemistry@www.ccl.net Date: Thu, 21 Jan 1999 20:39:34 +0000 (GMT) X-Mailer: ELM [version 2.4 PL24] Content-Type: text Hi , I am trying to approximate an electronic density from some molecular orbitals to a linear combination of gaussian function. This is a procedure to fit the electronic density explained in some papers, but I do not know how to select the set of gaussian function to fit the density. I need to know some information about. Would you like to help me ? Best regard Norge From chemistry-request@www.ccl.net Thu Jan 21 13:51:39 1999 Received: from karplus0.harvard.edu (tammy.harvard.edu [128.103.92.198]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id NAA11475 Thu, 21 Jan 1999 13:51:39 -0500 (EST) Received: from topanga.harvard.edu (topanga [128.103.92.179]) by karplus0.harvard.edu (8.8.2/8.8.2) with ESMTP id OAA03050; Thu, 21 Jan 1999 14:04:13 -0500 (EST) Received: from localhost (qiang@localhost) by topanga.harvard.edu (8.8.2/8.8.2) with SMTP id NAA12728; Thu, 21 Jan 1999 13:43:48 -0500 (EST) Date: Thu, 21 Jan 1999 13:43:47 -0500 (EST) From: Qiang Cui To: Alessandra Villa cc: chemistry@www.ccl.net Subject: Re: CCL:G:Summary : ab initio NMR calculation (paramegnetic system) In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Thu, 21 Jan 1999, Alessandra Villa wrote: > > I thank you all the persons that answer me and try to help me > I summary the answers (4) , maybe it could be halpfull some someone else. > Best Regards > Alessandra Sorry for jumping in at such a late stage, but I would recommand an excellent review on NMR chemical shift as well as spin-spin coupling calculations: Chem. Rev. 99, 293-352 (1999). Just from the length, you may imagine that the paper should cover extensive areas. Just one quote from the review (for fun:-) "We believe that none of the published reviews are similar in approach and scope to ours: most concentrate on the results; those that discuss the theory, do not have the character of a general review" Have fun! ___________________________________________________________________________ Qiang Cui Dept. of Chem. _ __..-;''`--/'/ /.',-`-. Harvard Univ. (`/' ` | \ \ \\ / / / / .-'/`,_ 12 Oxford St., /'`\ \ | \ | \| // // / -.,/_,'-, Cambridge, MA 02138 /<7' ; \ \ | ; ||/ /| | \/ |`-/,/-.,_,/') (617)-495-8997 / _.-, `,-\,__| _-| / \ \/|_/ | '-/.;.\' (617)-495-1775 `-` f/ ; / __/ \__ `/ |__/ | Fax: (617)-496-3204 `-' | -| =|\_ \ |-' | http://yuri.harvard.edu/~qiang __/ /_..-' ` ),' // ((__.-'((___..-'' \__.' 805 Mt. Auburn Street Apt. 35 Watertown, MA 02472 (617)-926-6027 __________________________________________________________________________ From chemistry-request@www.ccl.net Thu Jan 21 14:03:42 1999 Received: from macgw.chem.iupui.edu (macgw.chem.iupui.edu [134.68.137.71]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id OAA11577 Thu, 21 Jan 1999 14:03:42 -0500 (EST) Message-ID: Date: 21 Jan 1999 14:04:36 -0500 From: "Boyd" Subject: Journal of Molecular Graphics and Modelling To: "OSC CCL" X-Mailer: Mail*Link SMTP for Quarterdeck Mail; Version 4.1.0 Dear CCLers, A major change in the Journal of Molecular Graphics and Modelling (JMGM) will be of interest to computational chemists. For years JMGM has been associated with the Molecular Graphics and Modelling Society and has had a somewhat narrow focus. Now, however, the journal is officially co-associated with the Computers in Chemistry (COMP) division of the American Chemical Society. The 2200 members of COMP have a wide range of interests in computational chemistry. COMP members are eligible for a special subscription rate. A new editorial direction has been set, and a new international editorial board has been appointed. JMGM offers advantages of free color figures, quick publication time, and both hard copy and online versions. The scope of the new JMGM encompasses: o molecular interactions o protein and polymer engineering o pharmaceutical design o materials design o applied theoretical chemistry o structure-property relationships o computer library design High quality papers describing work at the cutting edge of science are welcome. Instructions to authors are given at http://www.elsevier.nl/locate/jmgm/ Thank you, Don Donald B. Boyd, Ph.D. Editor, Journal of Molecular Graphics and Modelling Department of Chemistry Indiana University-Purdue University at Indianapolis 402 North Blackford Street Indianapolis, Indiana 46202-3274, U.S.A. Telephone 317-274-6891, FAX 317-274-4701 E-mail boyd@chem.iupui.edu From chemistry-request@www.ccl.net Thu Jan 21 14:55:48 1999 Received: from hugh.chem.uic.edu (HUGH.CHEM.UIC.EDU [131.193.195.93]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id OAA12156 Thu, 21 Jan 1999 14:55:47 -0500 (EST) Received: by hugh.chem.uic.edu (940816.SGI.8.6.9/940406.SGI.AUTO) id RAA16493; Thu, 21 Jan 1999 17:08:16 -0600 Date: Thu, 21 Jan 1999 17:08:07 +36000 From: Richard Wood cc: chemistry@www.ccl.net Subject: Re: CCL:CCL:Q:Accessible surface of Metal atom In-Reply-To: <36A7649C.E832A309@nibsc.ac.uk> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Is there a program like this that will run under Windows 95/98? Richard On Thu, 21 Jan 1999, Mark Forster wrote: > Dear Steve > > I would like to suggest the program 'NACCESS' by Simon Hubbard, > although designed for protein use it is quite general. I recently tried > it on an iridium complex for example. For commercial > users a (small) fee is charged. See the WWW page > > http://sjh.bi.umist.ac.uk/naccess.html > > > Steven.Creve@dsm-group.com wrote: > > > Hi all, > > > > Suppose you have a transition metal complex. How can one quantify the > > 'accessible surface' of the metal atom for an incoming ligand? Do there exist > > any software packages that yield quantities like that or related to that? > > > > Thank you, > > > > Steven Creve > > DSM Research > > Geleen > > The Netherlands > > steven.creve@dsm-group.com > > > > --- > > Administrivia: This message is automatically appended by the mail exploder: > > 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 > > --- > > > > -- > > Dr Mark J Forster Ph.D. > Principal Scientist > Informatics Laboratory > National Institute for Biological Standards and Control > Blanche Lane, South Mimms, > Hertfordshire EN6 3QG, United Kingdom. > > Tel +44 (0)1707 654753 > FAX +44 (0)1707 646730 > E-mail mforster@nibsc.ac.uk > > > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: chemistry-request@www.ccl.net > -- Original Sender From: Address: mforster@nibsc.ac.uk > 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 >