From gondet@idris.fr Thu Oct 20 04:21:30 1994 Received: from lumiere.idris.fr for gondet@idris.fr by www.ccl.net (8.6.9/930601.1506) id EAA01353; Thu, 20 Oct 1994 04:09:06 -0400 Received: from sailor.idris.fr by lumiere.idris.fr with SMTP id AA24686 (5.67b8+/IDA-1.5 for ); Thu, 20 Oct 1994 09:07:12 +0100 Received: by sailor.idris.fr (AIX 3.2/UCB 5.64/4.03) id AA49199; Thu, 20 Oct 1994 09:09:30 +0100 From: gondet@idris.fr (Gondet Etienne) Message-Id: <9410200809.AA49199@sailor.idris.fr> To: schinke@mlubio4.biochemtech.uni-halle.de Cc: chemistry@ccl.net Subject: Re: CCL:Parallel versions of comp. software Date: Thu, 20 Oct 94 09:09:29 +0100 > Dear CCL-members, > our computational center at the university plans to buy new hardware > (parallel systems). It want to know from the important users (like > us - the comp. chem. group) what we require for hard- and especially > for software. > So I have the following question(s): > 1. What would you prefer as parallel-hardware for computational questions > (some workstation as cluster, shared memory systems, distributed > memory systems, how many processors). We do peptide and protein > modelling with force field methods. > 2. Are there any parallelized versions of the following programs > available: Gromos, Amber (I know one), MM2P/MM3, Yeti, Mopac, Gamess, > Turbomole. > 3. What hard- and software requirements does this versions need? > > > Please send answers to schinke@mlubio4.biochemtech.uni-halle.de > I will compile a list for the net, if there are answers. > > Thank you for the help, > > H. Schinke > Dear Mr SCHINKE, Recently you submit this request on CCL list, did you compile a list of answer and can you send me it. I am part of IDRIS/CNRS (national center for research)who have projects on parallel and I will be interesting in all informations you can give me especially if you know web or ftp adress for parallel benchmark on Gromos, Amber, Mopac, Gamess, etc ... and all software parallellized in Molecular Dynamics and Quantum Chemistry. Thank you, very much. Etienne GONDET /-------------------------------------------------------------\ | Assistance IDRIS | Etienne GONDET | |-----------------------------|-------------------------------| | Email : assist@idris.fr | E-mail : gondet@idris.fr | | Tel : 33.1.69.82.42.00 | ssos754@idris.fr | | Fax : 33.1.69.28.52.73 | | | | Tel : (1).69.82.42.55 | | CNRS-IDRIS | | | Batiment 506, BP 167 | Bureau 246 | | 91403 Orsay Cedex | | \-------------------------------------------------------------/ From sanja@indigo.irb.hr Thu Oct 20 05:21:32 1994 Received: from indigo.irb.hr for sanja@indigo.irb.hr by www.ccl.net (8.6.9/930601.1506) id EAA01577; Thu, 20 Oct 1994 04:31:49 -0400 From: Received: by indigo.irb.hr (920330.SGI/920502.SGI) for CHEMISTRY@ccl.net id AA10173; Thu, 20 Oct 94 09:31:36 +0200 Date: Thu, 20 Oct 94 09:31:36 +0200 Message-Id: <9410200731.AA10173@indigo.irb.hr> To: CHEMISTRY@ccl.net Subject: NBO manual Dear netters, can somebody point me where I can found NBO manual (if such exist). I have a lot of papers written by P. Schleyer, A.E.Reed et. al. on that subject but I didn't found reference for the manual of the program which is now incorporated in Gaussian 92. Thanx for your help Sanja ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Sanja Sekusak Rudjer Boskovic Institute Phone: (385-41) 46 10 89 P.O.B. 1016 Fax: (385-41) 27 26 48 Zagreb, Croatia E-mail: sanja@indigo.irb.hr ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ From galvao@ifi.unicamp.br Thu Oct 20 11:21:35 1994 Received: from ccsun.unicamp.br for galvao@ifi.unicamp.br by www.ccl.net (8.6.9/930601.1506) id LAA07339; Thu, 20 Oct 1994 11:08:17 -0400 Received: from ifi.unicamp.br (ifi.unicamp.br [143.106.1.7]) by ccsun.unicamp.br (8.6.4/8.3) with SMTP id MAA09098; Thu, 20 Oct 1994 12:52:25 -0300 Received: from polimero.ifi.unicamp.ansp.br by ifi.unicamp.br (4.1/SMI-4.1) id AA04530; Thu, 20 Oct 94 12:57:16 BDB Date: Thu, 20 Oct 94 12:57:16 BDB From: galvao@ifi.unicamp.br (Douglas Soares Galvao - prof) Message-Id: <9410201457.AA04530@ifi.unicamp.br> To: chemistry@ccl.net Subject: Spartan program Dear Netters I am interested in the SPARTAN program. I would like to know the address of the company is selling it. Thanks in advance for your help. Douglas Galvao From Patrick.Bultinck@rug.ac.be Thu Oct 20 11:34:26 1994 Received: from mserv.rug.ac.be for Patrick.Bultinck@rug.ac.be by www.ccl.net (8.6.9/930601.1506) id KAA07011; Thu, 20 Oct 1994 10:49:16 -0400 Received: from allserv.rug.ac.be by mserv.rug.ac.be with SMTP id AA24287 (5.67b/IDA-1.5 for ); Thu, 20 Oct 1994 15:48:17 +0100 Received: by allserv.rug.ac.be (5.0/SMI-SVR4) id AA15850; Thu, 20 Oct 1994 15:49:01 +0100 Date: Thu, 20 Oct 1994 15:49:00 +0100 (MET) From: Patrick Bultinck Subject: AIMP's and Sets for Mg-Ba To: chemistry@ccl.net Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Content-Length: 1124 Dear Netters, I have been looking up some effective core potentials and ab initio model potentials for alkaline-earth metal atoms and ions. Does anybody have any suggestions which to use ? I am very interested in Relativistic AIMP's like the ones of Barandiaran and Seijo (Can. J. Chem. Vol. 70 (1992) 409). Has anybody got experience with these AIMP's ? I saw only a few tables from this article, and would VERY much like to have the exponents, coeffs. etc, however I was told they are not in the article ! Can anybody point me to them ? (or give me the E-mails of Barandiaran or Seijo at the Univ. Autonoma de Madrid) Second, does anybody have info on basissets for *all* Alkaline earth atoms ? I know MINI and MIDI exist for all, but would certainly need more extended sets ! (there are sets mentionned in Barandarian et al., but without the tables !) Does anybody have info on polarization and diffuse gaussian exponents for these atoms ? (or do I best make my own sets ?) I have looked up tons of articles, so this message is not sent out of laziness ! Thank you very much, Patrick, University of Ghent From eslone@mason1.gmu.edu Thu Oct 20 12:21:46 1994 Received: from mason1.gmu.edu for eslone@mason1.gmu.edu by www.ccl.net (8.6.9/930601.1506) id LAA08489; Thu, 20 Oct 1994 11:59:33 -0400 Received: by mason1.gmu.edu (5.65/DEC-Ultrix/4.3/GMUv3) id AA26476; Thu, 20 Oct 1994 11:59:05 -0400 Message-Id: <9410201559.AA26476@mason1.gmu.edu> Subject: Re: Author of UNIFAC To: Dag.Morten.Jahr@si.sintef.no (Dag Morten Jahr) Date: Thu, 20 Oct 1994 11:59:05 -0400 (EDT) From: "J. Eric Slone" Cc: chemistry@ccl.net In-Reply-To: <9410200825.AAdavy09251@davy.uio.no> from "Dag Morten Jahr" at Oct 20, 94 09:25:15 am X-Mailer: ELM [version 2.4 PL23] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 289 I've had several people write to me that they could not get the program I uploaded to the archives, UNIFAC to work correctly. The file that seems to get things working is GRID.VBX, so I have uploaded the latest version of this file to the archives. It is currently in /incoming. Eric From underhil@hp.rmc.ca Thu Oct 20 12:43:08 1994 Received: from sv2.rmc.ca for underhil@hp.rmc.ca by www.ccl.net (8.6.9/930601.1506) id LAA08332; Thu, 20 Oct 1994 11:53:37 -0400 Received: from 137.94.5.141 ([137.94.3.7]) by sv2.rmc.ca with SMTP id AA27477 (5.67b/IDA-1.5 for ); Thu, 20 Oct 1994 11:49:24 -0400 Date: Thu, 20 Oct 1994 11:49:24 -0400 Message-Id: <199410201549.AA27477@sv2.rmc.ca> X-Sender: underhil@137.94.5.141 X-Mailer: Windows Eudora Version 1.4.3 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: underhil@hp.rmc.ca (Ross Underhill) Subject: ftir data This is not the most appropriate place, but I'm looking for databases of ftir spectra (of organics) so I can check some computations. Unfortunately, the spectra, I want don't appear to be in the Aldrich books. Does anybody know of where I might look (especially a net source that could be downloaded)? Thanks Ross Underhill Royal Military College of Canada Kingston, Ontario (613) 541-6000 X6175 From toukie@zui.unizh.ch Thu Oct 20 12:49:15 1994 Received: from rzusuntk.unizh.ch for toukie@zui.unizh.ch by www.ccl.net (8.6.9/930601.1506) id MAA08827; Thu, 20 Oct 1994 12:19:03 -0400 Received: by rzusuntk.unizh.ch (4.1/SMI-4.1.9) id AA29272; Thu, 20 Oct 94 17:19:00 +0100 X-Nupop-Charset: British Date: Thu, 20 Oct 1994 17:13:37 +0100 (MET) From: "Hr Dr. S. Shapiro" Sender: toukie@zui.unizh.ch Reply-To: toukie@zui.unizh.ch Message-Id: <62017.toukie@zui.unizh.ch> To: chemistry@ccl.net Subject: Software questions Dear Colleagues; I have two software questions: (i) Can anyone send me a list of the 20 molecular descriptors that are calculated in the programme SciQSAR for HyperChem? Better still, can anyone send me a list of the 20 molecular descriptors that are calculated in the programme SciQSAR for HyperChem together with a brief description of how each descriptor is calculated? (ii) Does anyone know of a programme (preferably shareware) that would enable me to convert a chemical structure drawn using either HyperChem for Windows Release 3 or ChemWindow to a SMILES linear structure? Has anyone ever had any experience with a chemical structures file conversion utility called ConSystant? Thanks to all responders in advance. Sincerely, (Dr.) S. Shapiro Institut fuer orale Mikrobiologie und allgemeine Immunologie Zentrum fuer Zahn-, Mund-, und Kieferheilkunde der Universitaet Zuerich Plattenstrasse 11 Postfach CH-8028 Zuerich, Switzerland Internet: toukie@zui.unizh.ch FAX-nr: ( ... + 1) 261'56'83 From toukie@zui.unizh.ch Thu Oct 20 12:55:49 1994 Received: from rzusuntk.unizh.ch for toukie@zui.unizh.ch by www.ccl.net (8.6.9/930601.1506) id MAA08831; Thu, 20 Oct 1994 12:19:10 -0400 Received: by rzusuntk.unizh.ch (4.1/SMI-4.1.9) id AA29279; Thu, 20 Oct 94 17:19:08 +0100 X-Nupop-Charset: British Date: Thu, 20 Oct 1994 17:13:45 +0100 (MET) From: "Hr Dr. S. Shapiro" Sender: toukie@zui.unizh.ch Reply-To: toukie@zui.unizh.ch Message-Id: <62025.toukie@zui.unizh.ch> To: chemistry@ccl.net Subject: StereoEnergetics of Walden inversions Dear Colleagues; Can anyone provide me with references about the energetics of Walden in- versions and the relationship between the "ease" of inversion and the size/ steric parameters of the substitutents attached to the carbon atom at which the inversion would occur? Specically, we have been discussing theoretical possibilities of performing a Walden inversion at sterically-hindered terti- ary carbon atoms, such as position C-14 of the steroidal skeleton. Are there any precedents for an inversion of configuration at the steroidal C-14 posi- tion (or similarly-hindered natural product tertiary carbon atoms) occurring via a Walden inversion? Of course, literature citations would be extremely welcome. Finally, are there any chemical or biochemical precedents for a Walden inversion occurring in which the departing moiety is a hydride ion or other hydrogen species? Again, literature references would be most helpful. I thank all responders in advance for generously sharing their informa- tion with me. Sincerely, (Dr.) S. Shapiro Institut fuer orale Mikrobiologie und allgemeine Immunologie Zentrum fuer Zahn-, Mund-, und Kieferheilkunde der Universitaet Zuerich Plattenstrasse 11 Postfach CH-8028 Zuerich, Switzerland Internet: toukie@zui.unizh.ch FAX-nr: ( ... + 1) 261'56'83 From jim@wavefun.com Thu Oct 20 13:21:37 1994 Received: from volvo.wavefun.com for jim@wavefun.com by www.ccl.net (8.6.9/930601.1506) id MAA09572; Thu, 20 Oct 1994 12:56:13 -0400 Received: from acura.wavefun.com by volvo.wavefun.com via SMTP (931110.SGI/930416.SGI) for CHEMISTRY@ccl.net id AA08265; Thu, 20 Oct 94 09:51:55 -0700 Received: by wavefun.com (931110.SGI/930416.SGI) for @volvo.wavefun.com:CHEMISTRY@ccl.net id AA07873; Thu, 20 Oct 94 09:48:42 -0700 From: "jim" Message-Id: <9410200948.ZM7871@acura.wavefun.com> Date: Thu, 20 Oct 1994 09:48:41 -0700 X-Mailer: Z-Mail (3.1.0 22feb94 MediaMail) To: CHEMISTRY@ccl.net Subject: WAVEFUNCTION IS ON-LINE! Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 !!! WAVEFUNCTION IS NOW ON-LINE !!! Wavefunction, Inc., producers of SPARTAN is now on-line. Via E-Mail, you can: 1. Acquire the latest information about SPARTAN molecular modeling software. 2. Learn how to purchase copies of "Experiments in Computational Organic Chemistry" by Dr. Warren Hehre or other Wavefunction publications. 3. Obtain scientific and technical assistance. 4. Send Wavefunction ideas and suggestions on how we can better serve you. If you would like to learn more about SPARTAN, the modeling package used by commercial and academic chemists around the world, contact me, Jim Parisi, at: SALES@WAVEFUN.COM. If you are a SPARTAN user and require scientific/technical assistance, contact: SUPPORT@WAVEFUN.COM. From gilson@ibm2.carb.nist.gov Thu Oct 20 14:22:38 1994 Received: from ENH.NIST.GOV for gilson@ibm2.carb.nist.gov by www.ccl.net (8.6.9/930601.1506) id OAA11516; Thu, 20 Oct 1994 14:19:43 -0400 Received: from ibm2.carb.nist.gov by ENH.NIST.GOV (PMDF V4.2-13 #4653) id <01HII3FOIUVK000JFO@ENH.NIST.GOV>; Thu, 20 Oct 1994 14:17:46 EDT Received: by ibm2.carb.nist.gov (AIX 3.2/UCB 5.64/4.03) id AA21129; Thu, 20 Oct 1994 14:12:55 -0400 Date: Thu, 20 Oct 1994 14:12:55 -0400 From: gilson@ibm2.carb.nist.gov (Dr. Mike Gilson) Subject: Generating classical force field parameters for arbitrary molecules. To: chemistry@ccl.net, gilson@ibm2.carb.nist.gov Message-id: <9410201812.AA21129@ibm2.carb.nist.gov> Content-transfer-encoding: 7BIT I'd be grateful for pointers to software and/or journal references relating to the problem of generating reasonable classical force-field parameters (bond-stretch and angle-bend force constants, dihedral rotation barriers, atomic charges...) for arbitrary organic molecules of perhaps 100 atoms. Thanks in advance, Mike Gilson gilson@indigo2.carb.nist.gov From burke@agouron.com Thu Oct 20 17:21:42 1994 Received: from agouron.com for burke@agouron.com by www.ccl.net (8.6.9/930601.1506) id QAA14727; Thu, 20 Oct 1994 16:30:36 -0400 Received: from cardinal.agouron.com by agouron.com via SMTP (940715.SGI.52/930901.SGI) for chemistry@ccl.net id AA04002; Thu, 20 Oct 94 13:32:14 -0700 Received: by cardinal (940715.SGI.52/930416.SGI) for @tbone.agouron.com:chemistry@ccl.net id AA19649; Thu, 20 Oct 94 13:32:09 -0700 From: "Ben Burke" Message-Id: <9410201332.ZM19647@cardinal.agouron.com> Date: Thu, 20 Oct 1994 13:32:01 -0700 In-Reply-To: gilson@ibm2.carb.nist.gov (Dr. Mike Gilson) "CCL:Generating classical force field parameters for arbitrary molecules." (Oct 20, 2:12pm) References: <9410201812.AA21129@ibm2.carb.nist.gov> X-Mailer: Z-Mail (3.1.0 22feb94 MediaMail) To: gilson@ibm2.carb.nist.gov (Dr. Mike Gilson), chemistry@ccl.net Subject: Re: CCL: ANS: Gen classical FF pars Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 On Oct 20, 2:12pm, Dr. Mike Gilson wrote: > I'd be grateful for pointers to software and/or journal references > relating to the problem of generating reasonable classical force-field > parameters (bond-stretch and angle-bend force constants, dihedral > rotation barriers, atomic charges...) for arbitrary organic molecules > of perhaps 100 atoms. ===POINTER====> "Molecular Mechanics Force-Field Parameterization Procedures", AJ Hopfinger & RA Pearlstein, JCC, 5, No. 5, 486-99 (1984). This is a set of procedures and guidelines for estimation of bond length, bond angle and torsional potential constants for molecular mechanics force fields. The force field constants are ultimately derived by "subtracting" non-bonded molecular mechanics energies from the molecular orbital energies using a model compound containing the chemical structure to be parameterized. ===POINTER====> "A Molecular Mechanics Valence Force Field for Sulfonamides Derived by ab Initio Methods", JB Nicholas et al, JPhysChem, 1991, 95, 9803-11 is a recent example of the method. John's work is very nice, and complete. His model compound also reminds us that inversion about nitrogen is an important consideration. There are, of course, alternate techniques which involve frequency calculations. I trust that others will be sharing expertise on this. --Ben -- burke@agouron.com Tel: (619) 622-3018 FAX: (619) 622-3299 ---------------------------------------------------------------------------- Benjamin J. Burke Research Scientist Computational Chemistry Agouron Pharmaceuticals 3565 General Atomics Court San Diego, CA 92107 ---------------------------------------------------------------------------- From C1790@SLVAXA.UMSL.EDU Thu Oct 20 18:21:40 1994 Received: from SLVAXA for C1790@SLVAXA.UMSL.EDU by www.ccl.net (8.6.9/930601.1506) id RAA15745; Thu, 20 Oct 1994 17:49:52 -0400 Received: from SLVAXA.UMSL.EDU by SLVAXA.UMSL.EDU (PMDF V4.3-7 #2503) id <01HII88OB7XYAKTJG8@SLVAXA.UMSL.EDU>; Thu, 20 Oct 1994 16:34:54 CDT Date: Thu, 20 Oct 1994 16:34:54 -0500 (CDT) From: BILL WELSH Subject: Ribbons & Renderman To: chemistry@ccl.net Message-id: <01HII88OB7Y0AKTJG8@SLVAXA.UMSL.EDU> X-VMS-To: in%"chemistry@ccl.net" MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Dear Netters, I'm looking for contacts (vendors, etc.) for obtaining two programs: 1) Mike Carson's RIBBONS. 2) Pixar's RENDERMAN Thanks ... Bill Welsh Dept of Chemistry Univ. of Missouri-St. Louis St. Louis, MO 63121 From jwilliam@gopher.chem.wayne.edu Thu Oct 20 21:21:42 1994 Received: from jake.cc.wayne.edu for jwilliam@gopher.chem.wayne.edu by www.ccl.net (8.6.9/930601.1506) id UAA17566; Thu, 20 Oct 1994 20:22:35 -0400 Received: from gopher.chem.wayne.edu (sun.science.wayne.edu) by jake.cc.wayne.edu (4.1/SMI-4.1) id AA23575; Thu, 20 Oct 94 20:22:24 EDT Received: by gopher.chem.wayne.edu (5.0/SMI-SVR4) id AA13823; Thu, 20 Oct 1994 20:21:04 +0500 Date: Thu, 20 Oct 1994 20:21:03 -0400 (EDT) From: Jeff Williams X-Sender: jwilliam@gopher.chem.wayne.edu To: Douglas Soares Galvao - prof Cc: chemistry@ccl.net Subject: Re: CCL:Spartan program In-Reply-To: <9410201457.AA04530@ifi.unicamp.br> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Content-Length: 716 I am also interested in this program!! Please send me a response also. On Thu, 20 Oct 1994, Douglas Soares Galvao - prof wrote: > > Dear Netters > > I am interested in the SPARTAN program. I would like to know the address of > the company is selling it. > > Thanks in advance for your help. > > Douglas Galvao > > > ---Administrivia: This message is automatically appended by the mail exploder: > CHEMISTRY@ccl.net -- everyone | CHEMISTRY-REQUEST@ccl.net -- coordinator > MAILSERV@ccl.net: HELP CHEMISTRY | Gopher: www.ccl.net 73 > Anon. ftp www.ccl.net | CHEMISTRY-SEARCH@ccl.net -- archive search > http://www.ccl.net/chemistry.html | for info send: HELP SEARCH to MAILSERV > From jwilliam@gopher.chem.wayne.edu Thu Oct 20 21:24:45 1994 Received: from jake.cc.wayne.edu for jwilliam@gopher.chem.wayne.edu by www.ccl.net (8.6.9/930601.1506) id UAA17665; Thu, 20 Oct 1994 20:25:01 -0400 Received: from gopher.chem.wayne.edu (sun.science.wayne.edu) by jake.cc.wayne.edu (4.1/SMI-4.1) id AA23579; Thu, 20 Oct 94 20:24:58 EDT Received: by gopher.chem.wayne.edu (5.0/SMI-SVR4) id AA13830; Thu, 20 Oct 1994 20:23:45 +0500 Date: Thu, 20 Oct 1994 20:23:44 -0400 (EDT) From: Jeff Williams X-Sender: jwilliam@gopher.chem.wayne.edu To: jim Cc: CHEMISTRY@ccl.net Subject: Re: CCL:WAVEFUNCTION IS ON-LINE! In-Reply-To: <9410200948.ZM7871@acura.wavefun.com> Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Content-Length: 1299 Please send me information regarding SPARTAN!! On Thu, 20 Oct 1994, jim wrote: > !!! WAVEFUNCTION IS NOW ON-LINE !!! > > Wavefunction, Inc., producers of SPARTAN is now on-line. Via E-Mail, you can: > > 1. Acquire the latest information about SPARTAN molecular modeling software. > > 2. Learn how to purchase copies of "Experiments in Computational Organic > Chemistry" by Dr. Warren Hehre or other Wavefunction publications. > > 3. Obtain scientific and technical assistance. > > 4. Send Wavefunction ideas and suggestions on how we can better serve you. > > If you would like to learn more about SPARTAN, the modeling package used by > commercial and academic chemists around the world, contact me, Jim Parisi, at: > > SALES@WAVEFUN.COM. > > If you are a SPARTAN user and require scientific/technical assistance, contact: > > SUPPORT@WAVEFUN.COM. > > > > > > > ---Administrivia: This message is automatically appended by the mail exploder: > CHEMISTRY@ccl.net -- everyone | CHEMISTRY-REQUEST@ccl.net -- coordinator > MAILSERV@ccl.net: HELP CHEMISTRY | Gopher: www.ccl.net 73 > Anon. ftp www.ccl.net | CHEMISTRY-SEARCH@ccl.net -- archive search > http://www.ccl.net/chemistry.html | for info send: HELP SEARCH to MAILSERV >