From alexei@palladium.enscm.fr Thu Jul 30 03:46:56 1998 Received: from palladium.enscm.fr (palladium.enscm.fr [193.52.207.107]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id DAA17040 Thu, 30 Jul 1998 03:46:54 -0400 (EDT) Received: from localhost (alexei@localhost) by palladium.enscm.fr (8.8.7/8.8.7) with SMTP id JAA20299; Thu, 30 Jul 1998 09:41:08 +0200 (MDT) Date: Thu, 30 Jul 1998 09:41:08 +0200 (MDT) From: Arbouznikov Alexei X-Sender: alexei@palladium To: CHEMISTRY@www.ccl.net cc: CHEMISTRY@www.ccl.net Subject: numerical solution of Schroedinger equation Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL'ers, I would be very much obliged to anybody who could give me any references on the following subject: (1) numerical solution of Schroedinger equation for the simplest two-electron systems (i.e., Helium atom or H2 molecule) - I believe, it's impossible that such kind of work has never been done; (2) any available software for solving numerically the partial differential equations with singularities. Summary is guaranteed. Regards, Dr. Alexei Arbouznikov Ecole Nationale Superieure de Chimie, Laboratoire de Materiaux Catalytiques et Catalyse en Chimie Organique, UMR 5618 CNRS-ENSCM - Prof. F.Fajula, 8, rue de l'Ecole Normale 34296 Montpellier, Cedex 5 FRANCE Telephone: (33) 4-67-14-72-68 Fax: (33) 4-67-14-43-49 E-mail: alexei@palladium.enscm.fr From laaksone@csc.fi Thu Jul 30 04:16:34 1998 Received: from pobox.csc.fi (pobox.csc.fi [128.214.46.62]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id EAA17109 Thu, 30 Jul 1998 04:16:33 -0400 (EDT) Received: from laaksonen.csc.fi (laaksonen.csc.fi [193.166.1.75]) by pobox.csc.fi (8.9.0.Beta5/8.9.0.Beta5/CSC/Rtrs-1.22) with ESMTP id LAA12771; Thu, 30 Jul 1998 11:16:25 +0300 (EET DST) Date: Thu, 30 Jul 1998 11:12:04 +0300 (GFT Daylight Time) From: Leif Laaksonen To: Arbouznikov Alexei cc: CHEMISTRY@www.ccl.net Subject: Re: CCL:numerical solution of Schroedinger equation In-Reply-To: Message-ID: X-X-Sender: laaksone@laaksonen.csc.fi MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 Content-Transfer-Encoding: 8BIT Alexei, Pekka Pyykkö, Dage Sundolm and I worked on the numerical solutions for the Schrödinger and Dirac equations for diatomic molecules during the 80's. The numerical program for the Schrödinger equation is avalailable at: http://laaksonen.csc.fi/num2d.html For some references to our work please have a look at: http://laaksonen.csc.fi/publications.html Regards, -leif laaksonen ------------------------------------------------------------------- Center for Scientific Computing | Phone: 358 9 4572378 P.O. Box 405 | Mobile: 358 400425203 FIN-02101 Espoo | Telefax: 358 9 4572302 FINLAND | Mail: Leif.Laaksonen@csc.fi -------- URL: http://laaksonen.csc.fi/leif.laaksonen.html --------- On Thu, 30 Jul 1998, Arbouznikov Alexei wrote: > > Dear CCL'ers, > > I would be very much obliged to anybody who could give me > any references on the following subject: > > (1) numerical solution of Schroedinger equation for the simplest > two-electron systems (i.e., Helium atom or H2 molecule) - I believe, it's > impossible that such kind of work has never been done; > > (2) any available software for solving numerically the > partial differential equations with singularities. > > Summary is guaranteed. > > Regards, > > Dr. Alexei Arbouznikov > Ecole Nationale Superieure de Chimie, > Laboratoire de Materiaux Catalytiques et Catalyse en > Chimie Organique, UMR 5618 CNRS-ENSCM - Prof. F.Fajula, > 8, rue de l'Ecole Normale > 34296 Montpellier, Cedex 5 > FRANCE > > Telephone: (33) 4-67-14-72-68 > Fax: (33) 4-67-14-43-49 > E-mail: alexei@palladium.enscm.fr > > > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: alexei@palladium.enscm.fr > -- Original Sender From: Address: alexei@palladium.enscm.fr > 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 > > From elewars@alchemy.chem.utoronto.ca Thu Jul 30 11:54:34 1998 Received: from alchemy.chem.utoronto.ca (alchemy.chem.utoronto.ca [142.150.224.224]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id LAA20921 Thu, 30 Jul 1998 11:54:33 -0400 (EDT) Received: (from elewars@localhost) by alchemy.chem.utoronto.ca (8.7.4/8.7.3) id LAA28780 for chemistry@www.ccl.net; Thu, 30 Jul 1998 11:54:30 -0400 (EDT) Date: Thu, 30 Jul 1998 11:54:30 -0400 (EDT) From: "E. Lewars" Message-Id: <199807301554.LAA28780@alchemy.chem.utoronto.ca> To: chemistry@www.ccl.net Subject: TS BY GEOM OPT, KCAL AND HARTREES--RESPONSE Thurs July 30 Yury Voloshin asked 1) How can a geom opt (rather than a TS opt) give a transition state? 2) How can one convert semiempirical energies, in kcal/mol, to hartrees, for comparison with ab initio values? ----------- 1) If your input geom has the same symmetry as a TS (of about the about the same geom), a geom opt will take it to that TS. Examples: H | | geom opt F ---- C ---- F -----> TS for (degenerate) Sn2 displacement - \ - \ H H D3h geom opt D3h ethane (eclipsed) -----> TS for interconversion of D3d (staggered) conformations N N N AM1 geom opt N N ----------------> TS for degenerate interconv. of N 3 N2 D6h One can often find a TS this way. Of course a TS at one computational level may be a minimum or a higher-order saddle point at a fifferent level. ----- 2) As you imply, semiemp and ab initio E's refer to different things and so can't be directly compared. However, chemistry studies energy _differences_, not energies. To covert a semiemp deltaE to hartrees, divide by 627.5: H H H CH3 Z ------- \ / \ / /|\ C==C C==C | / \ / \ (AM1) | CH3 CH3 CH3 H deltaE | | -2.28 kcal/mol -3.35 kcal/mol E -------- Z E deltaE = (-2.28 - (-3.35))/627.5 hartrees =1.07/627.5 h = 0.00171 h Also: deltaE h/molecule x 2626 = deltaE kJ/mol ============ E. Lewars ============================ From juanmi@blucher.qf.ub.es Thu Jul 30 13:22:28 1998 Received: from blucher.qf.ub.es (blucher.qf.ub.es [161.116.73.138]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id NAA21982 Thu, 30 Jul 1998 13:22:20 -0400 (EDT) From: juanmi@blucher.qf.ub.es Received: (from juanmi@localhost) by blucher.qf.ub.es (8.8.5/8.8.5) id TAA15213; Thu, 30 Jul 1998 19:12:07 +0200 Message-Id: <199807301712.TAA15213@blucher.qf.ub.es> Subject: Re: CCL:gradients of overlap integrals To: bittner@uh.edu (Eric R. Bittner) Date: Thu, 30 Jul 1998 19:12:06 +0200 (DFT) Cc: chemistry@www.ccl.net In-Reply-To: <35BF464F.15FB@uh.edu> from "Eric R. Bittner" at Jul 29, 98 10:57:03 am X-Mailer: ELM [version 2.4 PL25] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit > We need to calculate the gradient of an overlap integral > between tight-binding basis functions. > i.e. we need > d/dx You may take a look at F.X.Gadea, M.Pelissier, J. Chem. Phys 96 (1990) 545 They use finite increments, i.e. d/dx \approx (1/dx)( - ) in order to compute radial coupling terms between functions. Recently I've been working on partially analytical computation of these terms; computing d(psi_b)/dx is quite straightforward when psi_b is a gaussian function. Hope it helps, JM -- LIFE IS SO UNCERTAIN - EAT DESSERT FIRST Juan Miguel Bocanegra Moron (mailto:juanmi@blucher.qf.ub.es) Grup de Cinetica i Dinamica de Reaccions Elementals DEPARTAMENT DE QUIMICA FISICA-UNIVERSITAT DE BARCELONA Marti i Franques, 1 08023 Barcelona SPAIN tel: ++34 93 402-1224 From fabio_valentino@hotmail.com Wed Jul 29 04:43:49 1998 Received: from prontomail4.prontomail.com ([209.185.72.61]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id EAA10305 Wed, 29 Jul 1998 04:43:48 -0400 (EDT) From: fabio_valentino@hotmail.com Sender: fabio_valentino@hotmail.com (derived from envelope by MTA prontomail4.prontomail.com) Date: 29 Jul 1998 01:40:34 -0700 (added by MTA prontomail4.prontomail.com) X-Internal-ID: 35B892EF0000DE86 Received: from eu.ansp.br (143.108.1.19) by prontomail4.prontomail.com (NPlex 2.0.083); 29 Jul 1998 01:40:34 -0700 Message-ID: <35B892EF0000DE86@prontomail4.prontomail.com> (added by prontomail4.prontomail.com) Content-Length: 412 Dear All, In order to simulate a protein with water (SPC/E) in a cubic box, one should use boundary conditions (usually periodic) and minimum image convention. Should one apply "minimum image convention" to protein atoms or only for the water molecules ? Could you please provide me with more details and didatic references ? Thanks in advance. Fabio Valentino, M.Sc. student fabio_valentino@HOTMAIL.COM From ymumjc@nessie.mcc.ac.uk Wed Jul 29 10:29:27 1998 Received: from probity.mcc.ac.uk (probity.mcc.ac.uk [130.88.200.94]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id KAA11494 Wed, 29 Jul 1998 10:29:06 -0400 (EDT) Received: from nessie.mcc.ac.uk ([130.88.200.20] ident=ymumjc) by probity.mcc.ac.uk with esmtp (Exim 1.92 #2) for chemistry@www.ccl.net id 0z1XDK-0000Xh-00; Wed, 29 Jul 1998 15:28:22 +0100 Received: (from ymumjc@localhost) by nessie.mcc.ac.uk (8.8.8/8.8.8) id PAA03644 for chemistry@www.ccl.net; Wed, 29 Jul 1998 15:28:22 +0100 (BST) (envelope-from ymumjc) From: Jonathan Connor Message-Id: <199807291428.PAA03644@nessie.mcc.ac.uk> Subject: postdoctoral vacancy To: chemistry@www.ccl.net Date: Wed, 29 Jul 1998 15:28:22 +0100 (BST) X-Mailer: ELM [version 2.4ME+ PL32 (25)] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Content-Length: 2169 POSTDOCTORAL RESEARCH ASSOCIATE New Theories of Chemical Reactions and Molecular Collisions Applications are invited for a postdoctoral research associate position funded by the UK Engineering and Physical Sciences Research Council. The research involves the development of novel theories for understanding the dynamics of chemical reactions and molecular collisions. There are two complementary themes to the research: (a) the dynamics of light atom transfer reactions, which involves computationally intensive scattering calculations. (b) new semiclassical theories for understanding the angular scattering of reactive and inelastic collisions. Examples of our recent research include: J. Chem. Phys. 1998 (108) 5695; ibid. 1996 (104) 2297; J. Chem. Soc. Faraday Trans. 1997 (93) 709; J. Comput. Appl. Math. 1997 (82) 447; Chem. Phys. 1996 (207) 461. Excellent computational facilities are available for the research including supercomputers and workstations. The research on the dynamics of light atom transfer reactions involves collaboration with Professor G C Schatz, Dept. of Chemistry, Northwestern University, Evanston, Illinois, USA, and some travel to the USA is possible. The appointment is for 2 years. Salary in the range 15159-22785 UK pounds plus membership of the Universities Superannuation Scheme. Candidates with strengths in either of the above themes (or both) should send their curriculum vitae and names of two referees to: Professor J.N.L. Connor Tel: (+44)-161-275-4693/4686 Department of Chemistry Fax: (+44)-161-275-4734 University of Manchester Manchester M13 9PL England Email: J.N.L.Connor@Manchester.ac.uk -- ****************************************************************************** Professor J.N.L. Connor, Phone(direct line): 0161-275-4693 (national) Department of Chemistry, :+44-161-275-4693 (international) University of Manchester, Manchester M13 9PL, Phone(secretary): 0161-275-4686 or 4600 England. Fax: 0161-275-4734 or 4598 ****************************************************************************** From castejon@kbw350.chem.yale.edu Wed Jul 29 13:25:23 1998 Received: from kbw350.chem.yale.edu (kbw350.chem.yale.edu [130.132.25.45]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id NAA13826 Wed, 29 Jul 1998 13:25:23 -0400 (EDT) Received: by kbw350.chem.yale.edu (AIX 3.2/UCB 5.64/4.03) id AA14932; Wed, 29 Jul 1998 13:24:24 -0400 Date: Wed, 29 Jul 1998 13:24:24 -0400 From: castejon@kbw350.chem.yale.edu (Henry J. Castejon) Message-Id: <9807291724.AA14932@kbw350.chem.yale.edu> To: CHEMISTRY@www.ccl.net Hello everyone: Can someone help me with the following: I want to do molecular orbital calculations on second and third row transition metals. The compounds contain many more than one metal atom. (four or five). Consequently, I'm looking for some software capable of doing that. Gaussian doesn't have basis set for such metals and it may be a software using plane wave or something else. I will appreciate if someone can give a hint on this. Ah! I forgot a minor detail if the software is free better. Although I may be willing to spend some money on it. Thanks a lot for anything you can do. If I get a good compilation of answers I will summarize for everybody. Henry. From desingh@mailbox.syr.edu Wed Jul 29 14:28:35 1998 Received: from mailer.syr.edu (mailer.syr.edu [128.230.20.20]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id OAA14432 Wed, 29 Jul 1998 14:28:34 -0400 (EDT) Received: from rodan.syr.edu by mailer.syr.edu (LSMTP for Windows NT v1.1a) with SMTP id <0.2D2825E0@mailer.syr.edu>; Wed, 29 Jul 1998 14:28:38 -0400 Received: from localhost (desingh@localhost) by rodan.syr.edu (8.8.7/8.8.7) with SMTP id OAA02117 for ; Wed, 29 Jul 1998 14:28:34 -0400 (EDT) X-Authentication-Warning: rodan.syr.edu: desingh owned process doing -bs Date: Wed, 29 Jul 1998 14:28:34 -0400 (EDT) From: Deepak Singh X-Sender: desingh@rodan.syr.edu To: chemistry@www.ccl.net Subject: two-photon Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi netters, Is anyone aware of computational/theoretical work on the effects of dephasing on virtual state lifetimes in multi-photon spectroscopy? I will summarize any answers that I receive. Regards Deepak. From dons@hamilton.math.missouri.edu Thu Jul 30 16:51:44 1998 Received: from math.missouri.edu (math.missouri.edu [128.206.72.13]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id QAA25015 Thu, 30 Jul 1998 16:51:43 -0400 (EDT) Received: from hamilton.math.missouri.edu by math.missouri.edu via ESMTP (940816.SGI.8.6.9/940406.SGI) for <@math.missouri.edu:chemistry@www.ccl.net> id PAA26471; Thu, 30 Jul 1998 15:51:44 -0500 Received: by hamilton.math.missouri.edu (940816.SGI.8.6.9/940406.SGI) for chemistry@www.ccl.net id PAA23339; Thu, 30 Jul 1998 15:51:43 -0500 From: "Don Steiger" Message-Id: <9807301551.ZM23337@hamilton.math.missouri.edu> Date: Thu, 30 Jul 1998 15:51:42 -0500 X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry@www.ccl.net Subject: Drug design Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii I am a math graduate student and working with one of the theoretical chemist at the university here I developed a multipole algorithm for calculating coulomb interactions. With some modifications, this method can be used as a rapid screening procedure for the electrostatic version of the docking problem. The chemist that I am working with feels that this is a very important problem in the area of drug design and that I should pursue it further. In helping me to decide if I should pursue this, I was wondering if someone could briefly summarize the state of the art in this field. I thank you in advance. -- Don Steiger dons@hamilton.math.missouri.edu From dino@eik.bme.hu Thu Jul 30 19:03:31 1998 Received: from goliat.eik.bme.hu (root@goliat.eik.bme.hu [152.66.250.2]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id TAA26310 Thu, 30 Jul 1998 19:03:30 -0400 (EDT) Received: from localhost (dino@localhost [127.0.0.1]) by goliat.eik.bme.hu (8.9.1/8.9.1) with SMTP id BAA06200 for ; Fri, 31 Jul 1998 01:03:30 +0200 (MET DST) Date: Fri, 31 Jul 1998 01:03:29 +0200 (MET DST) From: SZIEBERTH Denes To: chemistry@www.ccl.net Subject: hyperfine constants summary Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII the original message was: ---------------------------------------------------------------------- Date: Mon, 20 Jul 1998 08:58:48 +0200 (MET DST) From: SZIEBERTH Denes To: chemistry@www.ccl.net Dear CCL -ers Calculated ESR hyperfine constants are sometimes reported in the literature in MHz, and sometimes in Gauss. Could someone tell me which is the more accepteble and how to convert between the two values? Denes Szieberth dino@goliat.eik.bme.hu ------------------------------------------------------------------------- thanks for all the responses ********************************************************************* From: David Close Subject: hyperfine couplings Dear Denes: Hyperfine couplings are measured in magnetic field units of Gauss. Actually, the proper MKS unit is now the mT where 1 mT = 10,000 Gauss. If one wants to convert Gauss to frequency units (MHz) the conversion is A(MHz) = 2.80247 a(Gauss). Strickly speaking, this factor is based on the g value of the free electron. Regards, Dave Close ------------------------------------------------------- David Close Dept of Physics closed@access.etsu-tn.edu East Tennessee State 1 (423) 439-5646 Johnson City, TN, USA Date: Mon, 20 Jul 1998 18:31:49 -0500 (CDT) From: Sukumar To: dino@eik.bme.hu Subject: Re: ESR hyperfine constants Sorry, I think I must have given you the values for the proton, while you want for ESR (as you know, Gauss and Tesla are units of magnetic field strength or magnetic flux density, while Hz and MHz are units of frequency). Anyway: for proton resonance, 1 mT = 23.48660 MHz or 1 MHz = 0.04257747 mT (milliTesla) for electron resonance, 1 mT = 0.0356825 MHz or 1 MHz = 28.02494 mT (milliTesla) The conversion 10000 Gauss = 1 T (tesla) is, of course, the same by definition. ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ / Dr. N. SUKUMAR / Tel (O): (414)288-6753 / / Department of Chemistry / (R): (414)244-2786 / / Marquette University / Fax : (414)288-7066 / / P.O.Box 1881 ~~~~~~~~~~~~~~~~~~~~~~~~~~~/ / Milwaukee, WI 53201-1881 / / Email : sukumar@tw515a.chem.mu.edu / / http://www.thch.uni-bonn.de/tc/sukumar.html / ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Date: Tue, 21 Jul 1998 09:24:21 +0200 (MES) From: Bernd Engels To: SZIEBERTH Denes Subject: Re: CCL:hyperfine coupling > > > > Dear CCL -ers > > Calculated ESR hyperfine constants are sometimes reported in the > literature in MHz, and sometimes in Gauss. Could someone tell me which is > the more accepteble and how to convert between the two values? > > Denes Szieberth > dino@goliat.eik.bme.hu > dear denes it depends. if you look in high resolution spectroscopy they mostly uses MHz. If you have ESR people, they use gauss, because they have a magnetic field which with they make the measurements. The conversion factor is 2.85025 MHz/Gauss Needles to say, that Gauss is not an 'appropriate unit', because it is related to the magnetic field, while the hyperfine coupling constants are independent of the magnetic field! But you cares Bernd Engels Date: Mon, 20 Jul 1998 15:12:26 +0200 (MET DST) From: Andrzej Szyczewski To: dino@goliat.eik.bme.hu Subject: MHz Dear Colleagues, 1G=2.8MHz. I would be very appeciate to obtain the information which program do you use to calculate the ESR hyperfine splittings. With best regards. Yours sincerely Andrzej ============================================================== Dr. Andrzej Szyczewski | | Institute of Physics, | e-mail: aszy@amu.edu.pl | A.Mickiewicz University | | Umultowska 85, | | 61-614 Poznan/Poland | fax: (4861) 821-79-91 | ============================================================== From kotelyan@plmsc.psu.edu Thu Jul 30 20:52:33 1998 Received: from plmsc.psu.edu (planck.plmsc.psu.edu [128.118.41.212]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id UAA26970 Thu, 30 Jul 1998 20:52:32 -0400 (EDT) Received: (from kotelyan@localhost) by plmsc.psu.edu (8.8.2/8.8.2) id UAA21329; Thu, 30 Jul 1998 20:52:55 -0400 (EDT) Date: Thu, 30 Jul 1998 20:52:55 -0400 (EDT) From: Mike Kotelyanskii To: Don Steiger cc: chemistry@www.ccl.net Subject: Re: CCL:Drug design In-Reply-To: <9807301551.ZM23337@hamilton.math.missouri.edu> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Check out papers by Greengard and Rokhlin, S.Lustig and N.J.Wagner et.al. sorry don't have them handy, these are all quite recent publications, last maybe 4-5 years, I am sure you'll find it in the database, Hope this helps, Mike ------------------------------------------------------------------------------- Michael J. Kotelyanskii Phone (814) 863 43 81 Polymer Science Program FAX (814) 865 29 17 Department of Materials Science and Engineering kotelyan@plmsc.psu.edu Pennsylvania State University http://www.plmsc.psu.edu/~kotelyan University Park, PA 16802, USA -------------------------------------------------------------------------------- On Thu, 30 Jul 1998, Don Steiger wrote: > I am a math graduate student and working with one of the theoretical chemist at > the university here I developed a multipole algorithm for calculating coulomb > interactions. With some modifications, this method can be used as a rapid > screening procedure for the electrostatic version of the docking problem. > The chemist that I am working with feels that this is a very important problem > in the area of drug design and that I should pursue it further. In helping me > to decide if I should pursue this, I was wondering if someone could briefly > summarize the state of the art in this field. > > I thank you in advance. > > -- > Don Steiger > dons@hamilton.math.missouri.edu > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: dons@hamilton.math.missouri.edu > -- Original Sender From: Address: dons@hamilton.math.missouri.edu > 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 > >