From sanja@indigo.irb.hr Fri Jun 2 03:30:33 1995 Received: from indigo.irb.hr for sanja@indigo.irb.hr by www.ccl.net (8.6.10/930601.1506) id DAA19047; Fri, 2 Jun 1995 03:29:45 -0400 Received: by indigo.irb.hr (940816.SGI.8.6.9/930416.SGI.AUTO) for CHEMISTRY@ccl.net id JAA28579; Fri, 2 Jun 1995 09:31:12 -0700 From: "sanja" Message-Id: <9506020931.ZM28577@indigo.irb.hr> Date: Fri, 2 Jun 1995 09:31:03 -0700 X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: CHEMISTRY@ccl.net Subject: smiles converter Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hi, netters, Does anyone know if there is a program available which converts smiles notation in the picture format or any other format conventionally used in computational chemistry, e.g. Z-matrix, cartesian coordinates, etc. Zeljka Medven Rugjer Boskovic Institute Zagreb, Croatia e-mail:medven@olimp.irb.hr -- *~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~* Sanja Sekusak e-mail: sanja@indigo.irb.hr Rudjer Boskovic Institute phone: (385-1) 46 10 89 HR-41001 Zagreb, CROATIA fax: (385-1) 27 26 48 *~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~*~* From bouyer@ext.jussieu.fr Fri Jun 2 03:33:54 1995 Received: from shiva.jussieu.fr for bouyer@ext.jussieu.fr by www.ccl.net (8.6.10/930601.1506) id DAA19032; Fri, 2 Jun 1995 03:24:09 -0400 Received: from idf.ext.jussieu.fr (idf.ext.jussieu.fr [134.157.81.129]) by shiva.jussieu.fr (8.6.10/jtpda-5.1) with ESMTP id JAA19407 ; Fri, 2 Jun 1995 09:22:49 +0200 Received: from [134.157.11.12] by idf.ext.jussieu.fr (8.6.10/jtpda-4.0) with SMTP; Fri, 2 Jun 1995 09:22:43 +0200 X-Sender: bouyer@idf.ext.jussieu.fr Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Fri, 2 Jun 1995 09:26:24 +0100 To: chemistry@ccl.net From: bouyer@ext.jussieu.fr (Frederic BOUYER) Subject: Thermochemistry and Point Group Cc: hyperchem@hyper.com Hello Netters, Is anyone aware of thermochemistry based on structural and vibrational HF or DFT calculations to determine thermochemical functions? My problem is the following : I have two molecules (of the same stoechiometry) of which structural and energetic differences are very (around 5 10-5 Ha, DMol BLYP functional) very small. Only the point group is different, one is C3v, the other Cs. The rotational contribution on thermochemical functions is not the same, because of the symmetry number (3 or 1, depending on the point group) and the consequence is drastic on the free enthalpy of formation ! (about 12 kJ/mol, and around 3 for the order of magnitude on the reaction constant at 1300K) I don't know how to decide which symmetry I am to take into account (5 10-5 Ha is too small) (-by vibrational calculations only ? If I can get frequencies at this level of accuracy-). I have verified these thermo-quantities with a simple run with Gamess, and I have the same difference (12 kJ/mol) on the free enthalpie of reaction (with the same structures). Why is there a so big difference between these thermo-quantities for these two symmetries? I expected that thermochemical functions would be continuous vs. the structure. Any comments, suggestions ? Frederic Bouyer Lab.Electrochimie-ENSCP-Paris-France bouyer@ext.jussieu.fr http://alcyone.enscp.jussieu.fr/ http://alcyone.enscp.jussieu.fr/Pages/LECA/GP/FB/ From mw@crystal.uwa.edu.au Fri Jun 2 04:00:31 1995 Received: from uniwa.uwa.edu.au for mw@crystal.uwa.edu.au by www.ccl.net (8.6.10/930601.1506) id DAA19207; Fri, 2 Jun 1995 03:54:43 -0400 Received: from graf.crystal.uwa.edu.au (graf.crystal.uwa.edu.au [130.95.232.1]) by uniwa.uwa.edu.au (8.6.10/8.6.9) with SMTP id PAA23252 for ; Fri, 2 Jun 1995 15:53:46 +0800 Received: from pack.crystal.uwa.edu.au by graf.crystal.uwa.edu.au with SMTP (5.61+IDA+MU) id AA26379; Fri, 2 Jun 1995 16:33:47 +0800 From: mw@crystal.uwa.edu.au (Magda Wajrak) Message-Id: <9506020746.AA23444@pack.crystal.uwa.edu.au> Subject: Singlet-Triplet Splittings? To: CHEMISTRY@ccl.net Date: Fri, 2 Jun 95 15:46:43 "WST Mailer: Elm [revision: 70.85] Dear Netters, I would like to ask for some help in locating some articles or books which give singlet-triplet energy splittings of some simple sulfur and/or nitrogen containing compounds. I especially need experimental results, but theoretical results would also be helpfull. Thank you very much. Magdalena Wajrak (email: mw@crystal.uwa.edu.au) From tamasgunda@tigris.klte.hu Fri Jun 2 04:07:14 1995 Received: from tigris.klte.hu for tamasgunda@tigris.klte.hu by www.ccl.net (8.6.10/930601.1506) id DAA19185; Fri, 2 Jun 1995 03:48:12 -0400 Message-Id: <199506020748.DAA19185@www.ccl.net> Received: from anti02 (anti02.chem.klte.hu) by tigris.klte.hu (MX V4.1 VAX) with SMTP; Fri, 02 Jun 1995 09:48:39 EDT Sender: X-MX-Warning: Warning -- Invalid "From" header. From: "tamasgunda@tigris.klte.hu" To: chemistry@ccl.net Date: Fri, 2 Jun 1995 09:48:38 +1 MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7BIT Subject: Re: CCL:Plotting Programs Priority: normal X-mailer: Pegasus Mail/Windows (v1.22) > > I am looking for a programs that will take 3D coordinates and > > plot them. The input file is an ASCII text of a series of numbers. Does > > anyone know of a good program and where I could find it? > > Thanks, > > If your data is molecular then a good program would be SCHAKAL from > Egbert Keller (kell@ruf.uni-freiburg.de). It is very good at plotting > molecules using various ball-and-stick and space filling models. If you need file format conversion prior to using SCHAKAL, you may need the conversion program MOL2MOL, available from Cherwell Scientific Publishing The Magdalen Centre, Oxford Science Park Oxford OX4 4GA, UK Fax +44 (0)1865 784801 e-mail: csp@sable.ox.ac.uk The program is capable of interconverting about 24 file formats, plus some utilities are also included. ***************************************************************************** Tamas E. Gunda, Ph.D. phone: (+36-52) 316666 ext 2479 Research Group of Antibiotics fax : (+36-52) 310936 L. Kossuth University e-mail: tamasgunda@tigris.klte.hu POBox 36 H-4010 Debrecen Hungary ***************************************************************************** From hermann@handel.RZ-Berlin.MPG.DE Fri Jun 2 05:30:36 1995 Received: from handel.RZ-Berlin.MPG.DE for hermann@handel.RZ-Berlin.MPG.DE by www.ccl.net (8.6.10/930601.1506) id FAA19948; Fri, 2 Jun 1995 05:23:47 -0400 Received: by handel.RZ-Berlin.MPG.DE (AIX 3.2/UCB 5.64/4.03) id AA17900; Fri, 2 Jun 1995 11:23:42 +0200 From: hermann@handel.RZ-Berlin.MPG.DE (Klaus Hermann ) Message-Id: <9506020923.AA17900@handel.RZ-Berlin.MPG.DE> Subject: Plotting Programs To: chemistry@ccl.net Date: Fri, 2 Jun 1995 11:23:42 +0200 (MSZ) X-Mailer: ELM [version 2.4 PL22] Content-Type: text Content-Length: 1107 To throw in another product: BALSAC (Build and Analyze Lattices, Surfaces, and Clusters) is widely used by surface scientists and crystallographers to visualize general atom positions and geometries in crystals and molecules. It is in its interactive features more modern and flexible than Schakal advertized previously. BALSAC was developed at the Fritz-Haber-Institute, Berlin and comes in both DOS(VGA) and Inix(X.11) versions. For more information consult Mrs. M. Pasecky, Garching Innovation GmbH, Koeniginstr. 19, D-80539 Muenchen, Germany Tel. [+49] 89 288279, Fax. [+49] 89 21081593 =========================================================================== Prof.Dr. K. Hermann Tel.: [+49]-30-8413-4812/3 (office) Abt. Theorie, Fritz-Haber-Institut [+49]-30-8413-4702 (secrt.) Faradayweg 4-6 Fax.: [+49]-30-8413-4701 D-14195 Berlin Germany e-mail: hermann@FHI-Berlin.MPG.DE WWW: http://www.fhi-berlin.mpg.de/th/member/hermann_k.html =========================================================================== From SANTOS@VM1.UMH.AC.BE Fri Jun 2 06:30:33 1995 Received: from phem3 for SANTOS@VM1.UMH.AC.BE by www.ccl.net (8.6.10/930601.1506) id GAA20523; Fri, 2 Jun 1995 06:18:14 -0400 Received: from VM1.UMH.AC.BE (MAILER@BMSUEM11) by phem3.acs.ohio-state.edu (PMDF V4.2-13 #5888) id <01HR7Y9DU0BK9C0XQ5@phem3.acs.ohio-state.edu>; Fri, 2 Jun 1995 06:17:57 EDT Received: from VM1.UMH.AC.BE (NJE origin SANTOS@BMSUEM11) by VM1.UMH.AC.BE (LMail V1.2a/1.8a) with BSMTP id 3936; Fri, 2 Jun 1995 11:48:33 +0000 Date: Fri, 02 Jun 1995 11:20:23 +0000 (GMT) From: "D.A. dos Santos" Subject: PC M.O. plotting programs To: chemistry@ccl.net Message-id: <01HR7Y9HJFK69C0XQ5@phem3.acs.ohio-state.edu> Content-transfer-encoding: 7BIT Dear netters, I am looking for PC (windows) programs to plot the LCAO coefficients of selected molecular orbitals; something simple which provides ball and stick (or wire and frame) representation of a given molecule and in adition the values of MO LCAO coefficients or their graphical representation would be perfect (even more if it is public domain :-) ). Any suggestions? Thanks a lot in advance for your help, +------------------------------------------+--------------------------------+ | Dr. Donizetti A. dos Santos ! | | Service de Chimie des Materiaux Nouveaux ! e-mail: santos at vm1.umh.ac.be| | et ! | | Centre de Recherche en Electronique et ! | | Photonique Moleculaires ! fax: +32 65 37 3366 | | Universite Mons-Hainaut ! +32 65 37 3054 | | 20, Place du Parc ! | | B7000 MONS, BELGIUM ! TEL: +32 65 37 3361 | +------------------------------------------+--------------------------------+ From fdeprof@is1.vub.ac.be Fri Jun 2 09:15:35 1995 Received: from rc4.vub.ac.be for fdeprof@is1.vub.ac.be by www.ccl.net (8.6.10/930601.1506) id JAA23046; Fri, 2 Jun 1995 09:10:02 -0400 Received: from is1e.vub.ac.be (root@is1e [134.184.15.5]) by rc4.vub.ac.be (8.6.10/3.4.2.ap (rc4)) id PAA24193; Fri, 2 Jun 1995 15:12:03 +0200 Received: from sterfpmc203.vub.ac.be by is1e.vub.ac.be (5.61/BFUCC-920211) id AA14013; Fri, 2 Jun 95 15:09:42 +0200 Date: Fri, 2 Jun 95 15:09:42 +0200 Message-Id: <9506021309.AA14013@is1e.vub.ac.be> X-Sender: fdeprof@is1.vub.ac.be (Unverified) Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: fdeprof@is1.vub.ac.be Subject: Book series info Dear all, On this list, I frequently encounter references to the series "Reviews in Computational Chemistry", edited by Boyd. Can anyone give me some information about this book series. Sincerely F. De Proft From pis_diez@nahuel.biol.unlp.edu.ar Fri Jun 2 10:30:41 1995 Received: from biol.unlp.edu.ar for pis_diez@nahuel.biol.unlp.edu.ar by www.ccl.net (8.6.10/930601.1506) id KAA24762; Fri, 2 Jun 1995 10:24:38 -0400 Received: from jubert.biol.unlp.edu.ar (jubert.biol.unlp.edu.ar [163.10.7.25]) by biol.unlp.edu.ar (8.6.9/8.6.9) with SMTP id LAA02626 for ; Sat, 7 Jan 1995 11:26:52 -0200 Date: Sat, 7 Jan 1995 11:26:52 -0200 Message-Id: <199501071326.LAA02626@biol.unlp.edu.ar> X-Sender: pis_diez@nahuel.biol.unlp.edu.ar X-Mailer: Windows Eudora Version 1.4.3 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: pis_diez@nahuel.biol.unlp.edu.ar (Reinaldo Pis Diez) Subject: Program to analyze G92 vibrational outputs Dear netters I'm looking for a program to read and convert cartesians to internal coordinates from G92 vibrational force constants outputs. I know REDONG program from QCPE (#628) but I'm interested in something newer (if any). Please don't reply this mail. Send your replies to varetti@biol.unlp.edu.ar Thanks in advance. Dr. E.L. Varetti From boyd@chem.iupui.edu Fri Jun 2 15:25:43 1995 Received: from indyvax.iupui.edu for boyd@chem.iupui.edu by www.ccl.net (8.6.10/930601.1506) id PAA04659; Fri, 2 Jun 1995 15:18:26 -0400 Return-receipt-to: Boyd Received: from macgw.chem.iupui.edu by INDYVAX.IUPUI.EDU (PMDF V4.3-13 #5862) id <01HR8F11TRWG005XOA@INDYVAX.IUPUI.EDU>; Fri, 02 Jun 1995 14:18:20 -0500 Date: Fri, 02 Jun 1995 14:16:19 -0500 From: Boyd Subject: Reviews in Computational Chemistry To: OSC CCL Message-id: <01HR8F1291OI005XOA@INDYVAX.IUPUI.EDU> Content-transfer-encoding: 7BIT CCLers: Dr. De Proft's question about "Reviews in Computational Chemistry" is especially timely because Volume 6 just rolled off the presses. I will try to answer. This new volume examines quantum chemistry of solvated molecules, molecular mechanics of inorganics and organometallics, modeling of polymers, technology of massively parallel computing, and comparative productivity of molecular modeling software. In the summary that follows, I explain the mission of the series, and I list the table of contents of each volume published to date. Don Donald B. Boyd, Ph.D. Co-editor, REVIEWS IN COMPUTATIONAL CHEMISTRY Department of Chemistry Indiana University-Purdue University at Indianapolis Indianapolis, Indiana 46202-3274 U.S.A. Internet boyd@chem.iupui.edu World Wide Web URL http://chem.iupui.edu/ Original posting- >Dear all, >On this list, I frequently encounter references to the series "Reviews in >Computational Chemistry", edited by Boyd. Can anyone give me some >information about this book series. >Sincerely >F. De Proft Summary (this message is 3-typed pages long)- -=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz & Donald B. Boyd, Editors "Reviews in Computational Chemistry" brings together respected experts in the field of computer-aided molecular research. The book series has become a standard reference source. Unlike most review series, "Reviews in Computational Chemistry" considers teaching the methodologies to newcomers an important part of its mission. Most chapters have both introductory and advanced material. Chapters written as tutorials make the volumes valuable adjuncts to textbooks in more traditional disciplines. At the same time, the advanced material in each volume will be of interest to practicing computational chemists. Contained in each volume is the popular Compendium of Software for Molecular Modeling, which has information on hundreds of programs, services, suppliers, and other helpful information. Authors of Volume 1 (1990): David Feller and Ernest R. Davidson, Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions. James J. P. Stewart, Semiempirical Molecular Orbital Methods. Clifford E. Dykstra, Joseph D. Augspurger, Bernard Kirtman, and David J. Malik, Properties of Molecules by Direct Calculation. Ernest L. Plummer, The Application of Quantitative Design Strategies in Pesticide Design. Peter C. Jurs, Chemometrics and Multivariate Analysis in Analytical Chemistry. Yvonne C. Martin, Mark G. Bures, and Peter Willett, Searching Databases of Three- Dimensional Structures. Paul G. Mezey, Molecular Surfaces. Terry P. Lybrand, Computer Simulation of Biomolecular Systems Using Molecular Dynamics and Free Energy Perturbation Methods. Donald B. Boyd, Aspects of Molecular Modeling. Donald B. Boyd, Successes of Computer-Assisted Molecular Design. Ernest R. Davidson, Perspectives on Ab Initio Calculations. Authors of Volume 2 (1991): Andrew R. Leach, A Survey of Methods for Searching the Conformational Space of Small and Medium-Sized Molecules. John M. Troyer and Fred E. Cohen, Simplified Models for Understanding and Predicting Protein Structure. J. Phillip Bowen and Norman L. Allinger, Molecular Mechanics: The Art and Science of Parameterization. Uri Dinur and Arnold T. Hagler, New Approaches to Empirical Force Fields. Steve Scheiner, Calculating the Properties of Hydrogen Bonds by Ab Initio Methods. Donald E. Williams, Net Atomic Charge and Multipole Models for the Ab Initio Molecular Electric Potential. Peter Politzer and Jane S. Murray, Molecular Electrostatic Potentials and Chemical Reactivity. Michael C. Zerner, Semiempirical Molecular Orbital Methods. Lowell H. Hall and Lemont B. Kier, The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling. I. B. Bersuker and A. S. Dimoglo, The Electron-Topological Approach to the QSAR Problem. Donald B. Boyd, The Computational Chemistry Literature. Authors of Volume 3 (1992): Tamar Schlick, Optimization Methods in Computational Chemistry. Harold A. Scheraga, Predicting Three-Dimensional Structures of Oligopeptides. Andrew E. Torda and Wilfred F. van Gunsteren, Molecular Modeling Using NMR Data. David F. V. Lewis, Computer-Assisted Methods in the Evaluation of Chemical Toxicity. Authors of Volume 4 (1993): Jerzy Cioslowski, Ab Initio Calculations on Large Molecules: Methodology and Applications. Michael L. McKee and Michael Page, Computing Reaction Pathways on Molecular Potential Energy Surfaces. Robert M. Whitnell and Kent R. Wilson, Computational Molecular Dynamics of Chemical Reactions in Solution. Roger L. DeKock, Jeffry D. Madura, Frank Rioux, and Joseph Casanova, Computational Chemistry in the Undergraduate Curriculum. Authors of Volume 5 (1994): John D. Bolcer and Robert B. Hermann, The Development of Computational Chemistry in the United States. Rodney J. Bartlett and John F. Stanton, Applications of Post-Hartree-Fock Methods: A Tutorial. Steven M. Bachrach, Population Analysis and Electron Densities from Quantum Mechanics. Jeffry D. Madura, Malcolm E. Davis, Michael K. Gilson, Rebecca C. Wade, Brock A. Luty, and J. Andrew McCammon, Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations. K. V. Damodaran and Kenneth M. Merz Jr., Computer Simulation of Lipid Systems. Jeffrey M. Blaney and J. Scott Dixon, Distance Geometry in Molecular Modeling. Lisa M. Balbes, S. Wayne Mascarella, and Donald B. Boyd, A Perspective of Modern Methods in Computer-Aided Drug Design. Authors of Volume 6 (1995): Christopher J. Cramer and Donald G. Truhlar, Continuum Solvation Models: Classical and Quantum Mechanical Implementations. Clark R. Landis, Daniel M. Root, and Thomas Cleveland, Molecular Mechanics Force Fields for Modeling Inorganic and Organometallic Compounds. Vassilios Galiatsatos, Computational Methods for Modeling Polymers: An Introduction. Rick A. Kendall, Robert J. Harrison, Rik J. Littlefield, and Martyn F. Guest, High Performance Computing in Computational Chemistry: Methods and Machines. Donald B. Boyd, Molecular Modeling Software in Use: Publication Trends. Eiji Osawa and Kenny B. Lipkowitz, Appendix 1: Published Force Field Parameters. Donald B. Boyd, Appendix 2: Compendium of Software for Molecular Modeling. Ordering information- Single copies may be purchased, of course. In addition, individuals and libraries can save money by placing a standing order for the whole series. The prices below are for single copy/standing order. Volumes 7, 8, 9, and 10 are in the works, each offering new and unique chapters. "Reviews In Computational Chemistry", K. B. Lipkowitz and D. B. Boyd, Editors Volume 1 (xix + 419 pp) ISBN 0-89573-754-X, $115/$95 Volume 2 (xvi + 527 pp) ISBN 1-56081-515-9, $125/$100 Volume 3 (xvi + 271 pp) ISBN 1-56081-619-8, $75/$60 Volume 4 (xix + 280 pp) ISBN 1-56081-620-1, $79/$65 Volume 5 (xxi + 458 pp) ISBN 1-56081-658-9, $110/$90 Volume 6 (xvii + 480 pp) ISBN 1-56081-667-8, $110/$90 U.S.A. source- VCH Publishers, 303 Northwest 12th Avenue, Deerfield Beach, FL 33442-1788. Toll-free tel. (within US & Canada): 800-367-8249 Toll-free fax (within US & Canada): 800-367-8247 Tel.: 305-428-5566, fax: 305-428-8201. Europe source- VCH Verlagsgesellschaft mbH, P.O. Box 10-11-61, 69451 Weinheim, Germany. Tel.: 49-6201-6060, fax: 49-6201-606328. >From reviews of the series- "The book transfers a working knowledge of existing computational methods and programs to an interested reader and potential user." (Structural Chemistry). "It can be recommended for everyone who wants to learn about the present state of development in computational chemistry." Angewandte Chemie International Edition in English). -=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= From rtindall@pinegov.co.pinellas.fl.us Fri Jun 2 15:31:47 1995 Received: from pinegov for rtindall@pinegov.co.pinellas.fl.us by www.ccl.net (8.6.10/930601.1506) id PAA04743; Fri, 2 Jun 1995 15:20:24 -0400 Received: by pinegov (5.0/SMI-SVR4) id AA09752; Fri, 2 Jun 1995 20:21:01 +0000 Errors-To: root@pinegov.co.pinellas.fl.us Date: Fri, 2 Jun 1995 20:21:00 +0100 (EDT) From: Reta Tindall To: chemistry@ccl.net Subject: molar enthalpy change for adsorption Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII content-length: 0 My name is Reta Newman and I am a forensic chemist in Largo, Florida. I am currently working on a research project studying the adsorption of accelerants on activated charcoal. In a literature search, I found and equation which relates the time a molecule remains on an adsorption site to the temperature of the system . The equation includes a value (Q) which is the molar enthalpy change for adsorption. How is this value determined: does it have to be determined experimentally or is their a table of values which would make my study (and my life) much easier? From jfptak@access.digex.net Fri Jun 2 16:25:44 1995 Received: from access4.digex.net for jfptak@access.digex.net by www.ccl.net (8.6.10/930601.1506) id QAA05763; Fri, 2 Jun 1995 16:14:27 -0400 Received: (from jfptak@localhost) by access4.digex.net (8.6.12/8.6.12) id QAA19930; Fri, 2 Jun 1995 16:14:18 -0400 Date: Fri, 2 Jun 1995 16:14:18 -0400 (EDT) From: John Ptak To: chemistry@ccl.net Subject: discovery of ET oxygen? Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Just a question here about the first confirmation of extra-terrestrial oxygen... Henry Draper (who was the first to photograph the spectrum of a star other than the sun) photographed the dark lines of oxygen in the sun in 1877 and seems to be the first to have done so. Before I start to research this I was just wondering if someone knew this fact off-hand. Thanks from a non-chemist. Oh yes--I'm also posting this to an astrophys list. John Ptak The Science Bookstore - Alexandria, VA USA jfptak@access.digex.net Rare and Out-of-Print Science Texts (703)683-6837