February 2000 - chemweb - imperial.ac.uk

Molecule of the Month - March
by Paul May 29 Feb '00

29 Feb '00

Hi, March's MOTM is cis-gamma-irone, which is the violet-like smell of some iris oils, and is a major fragrance used in the perfume industry. It has been written by Jean-Marie Galano, a PhD student working at Aix-Marseille University in France. HTML-only and Chime versions are available: http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm Regards, ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927, fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> Home URL: <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> Molecule of the Month: <http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm> "Nobody in football should be called a genius. A genius is a guy like Norman Einstein" Football commentator Joe Theismann ------------------------------------------------------------------------------ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Software/Database for Review
by Dr. Stephen R. Heller 23 Feb '00

23 Feb '00

February 22, 2000 Subject: Computer Software/Database for Review As the Software Review Editor for the ACS Journal of Chemical Information and Computer Science (JCICS) I often get software for review in the journal. I have one (1) new web-based software/database product. I am looking for someone who is willing to review this product on the web. The review should be completed in 1-3 months. The length of the review is 4-10 double spaced typed pages. Sample reviews can be found in most of the recent issues of JCICS. Please try to give me some (short) reason to choose you over another person. I have tried this approach for about the past five years and it is working reasonably well. (REMINDER: For those who haven't finished your reviews of software sent months and months ago, this last sentence does not apply to you!) As a result, I am continuing this new method to find reviewers using this e-mail/user group system. I reserve the right to abandon this if it is a problem, or inappropriate. I will not notify people if I have found a reviewer. If you don't hear from me within a few days I have chosen someone else to review the particular package. As I get many, many, (too many) replies to this message, please do not respond after 25 February 2000 (Friday), as I am sure the software will be gone by then. I can be reached on Internet (STEVE(a)HELLERS.COM) This is a new e-mail address. Steve Heller The package I now have is: ACD/I-Lab, the Interactive Laboratory is an online service including systematic naming generation, NMR and physicochemical prediction, and online database searching by structure and substructure. The person doing the review will be given a few hundred dollars credit to to access www.acdlabs.com/ilab to try it out and then write the review. While it is an online service but comes connected to the FREE Chemsketch interface for people to connect to. The reviewer would need to download CHemsketch to connect or use the Java applet. The reviewer MUST be using a very recent version of Internet Explorer or Netscape Navigator. Stephen R. Heller, Ph. D. Guest Researcher NIST/SRD, Mail Stop: 820/113 100 Bureau Drive 820 Diamond Avenue, Room 101 Gaithersburg, MD 20899-2310 USA Phone: 301-975-3338 FAX: 301-926-0416 E-mail: steve(a)hellers.com WWW: www.hellers.com/~steve -------------------------------------------------- As a member of the Organizing Committee, I invite you to attend Chemistry & the Internet - ChemInt2000; September 23-26, 2000; Washington, DC. http://www.chemint.org chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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WebElements Periodic Table Scholar Edition
by Mark Winter 21 Feb '00

21 Feb '00

Dear colleagues **Apologies if you get this more than once** WebElements Periodic Table Scholar Edition This is a request for help and comment. I'm pleased to announce the trial version of the scholar edition of WebElements. This version will be useful to students at university and school. For a few days, the only way in is via: http://www.webelements.com/webelements/scholar/ At this early stage, the scholar edition is a selected subset of the full version of WebElements. Hopefully students will find it easier to navigate around and less confusing than the full version. In time, new material and features will appear written especially for the target audience. I'd appreciate any comments you might care to make via the online feedback forms on the new edition before I make it available to everyone. In particular: Are there data that I've left out that should be left in? Are there data that I've left in that should be left out? Is the navigation easy? Do the features work? Are the inline quiz questions useful or distracting? What else is needed/not needed? Thanks in advance for the help! Regards -- Dr Mark J Winter (Director of Studies) Department of Chemistry, The University, Sheffield S3 7HF, England tel: +44 (0)114 222 9304 fax: +44 (0)114 222 9303 e-m: mark.winter(a)sheffield.ac.uk http://www.shef.ac.uk/chemistry/staff/mjw/mark-winter.html WebElements is the periodic table on the world-wide web: http://www.shef.ac.uk/chemistry/web-elements/ or http://www.webelements.com/ The Sheffield Chemdex is a listing of chemistry sites on the world-wide web: http://www.shef.ac.uk/chemistry/chemdex/ or http://www.chemdex.org/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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SVG and Chemistry
by Rzepa, Henry 20 Feb '00

20 Feb '00

You might find http://www.ch.ic.ac.uk/svg/ interesting to compare with the conventional "GIF" image format for illustrating chemistry on the Web. For much of chemistry, I believe the XML based SVG is a substantial improvement over bitmaps. The full features of the SVG specification which include animation, printability, etc seems full of potential in chemistry. Henry Rzepa. Imperial College, Chemistry Dept. +44 171 594 5774 (Office) +44 171 594 5804 (Fax) chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Invitation from new Editor-in-Chief of MOLECULES
by Shu-Kun Lin 19 Feb '00

19 Feb '00

Dear colleague: I would like to invite you to contribute a review or research paper for consideration and publication in MOLECULES (ISSN 1420-3049) at the http://www.mdpi.org/molecules/ website. Because it is a free online journal, papers published in MOLECULES receive very high publicity. Authors who have published in MOLECULES have informed us that they receive many more reprint requests than for other papers. It has been indexed and abstracted by several leading indexing and abstracting services, including Chemical Abstracts; CAPLUS; Science Citation Index Expanded; SciSearch, Research Alert; Chemistry Citation Index; Current Contents/Physical, Chemical & Earth Sciences. Please send your manuscripts to Dr. Derek J. McPhee, the Assistant Editor of MOLECULES, by e-mail: mcphee(a)mdpi.org. Thank you in advance for your kind support. Looking forward to hearing from you soon. Sincerely, Reinhard Neier Prof. Dr. Reinhard Neier Editor-in-Chief of MOLECULES (http://www.mdpi.org/molecules/) Institut de Chimie, University of Neuchatel Av. Bellevaux 51, CH-2000 Neuchatel, Switzerland, Phone: +41 32 718 2428, FAX: +41 32 718 2511, E-mail Reinhard.Neier(a)ich.unine.ch chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Research talks by eminent scientists
by Rzepa, Henry 17 Feb '00

17 Feb '00

Members of this list might be interested in our collection of video/chemical materials at http://www.ch.ic.ac.uk/video/ Here, we have offered archive video materials from our Institute, relating to members, past and present of our department, and two very recent research seminars that were recorded here. One talk (Charles Rees) is linked to 3D models of the molecules, for which you will need a plugin such as Chime or Chem3D. We expect to add to this collection on a regular basis. Legal bit: this material is all copyrighted, and no unauthorised use for republication is permitted. I believe other similar collections exist, although I am not aware of any good index of such materials. If anyone knows of similar projects at their own institute, please let this list or me know! If anyone wants details of how the stuff was made (and how much it cost!) please contact me. -- Henry Rzepa. +44 (0)20 7594 5774 (Office) +44 (0)20 7594 5804 (Fax) Dept. Chemistry, Imperial College, London, SW7 2AY, UK. http://www.ch.ic.ac.uk/rzepa/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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WebMolecules News - Feb 2000
by Phil Stevens 01 Feb '00

01 Feb '00

The February update of the award-winning site: ** WebMolecules.com ** is now online at http://www.webmolecules.com Visualize Molecules - in 3D - in real-time - on the Web - for FREE! New Features: -------------------------------------------------------------- - Another 25,000 CAS-indexed molecular models have been added. We now have over 150,000 molecular models on-site. Search for these by CAS number or exact formula. http://www.webmolecules.com/search.shtml - The upgrade of the WebMolecules server/network was completed on January 20th. You should notice a 20% performance boost (avg.) Any access problems that occurred over the December holidays are now behind us. Our apologies for any problems you may have seen. For those of you who are interested, we are currently running on a Dual-550 Mhz Pentium III, Red Hat Linux, and Apache 1.3.4 From there it's 100baseT > Cisco router > DS3 connection. - Search now uses exact formula matching to search the entire database and it also uses partial formula matching to look into the Top 2000. Search coverage/reach of the WebMolecules database: - Formula: 100% - CAS RN: ~99% - Name: ~2% (only used to search the Top 2000) Molecule for February 2000 -------------------------------------------------------------- Diborane http://www.webmolecules.com/cgi-bin/webmolpage.cgi?b2h6.m3d Formula: B2H6 Weight: 27.670(5) g/mol Also known as boroethane and diboron hexahydride. Commonly formed from the reduction of boron halides. Exists as a colorless, flammable gas with a repulsively sweet odor. Each boron has a tetrahedron (approx) of hydrogen atoms about it. The bridging hydrogens are somewhat farther from the boron centers than the terminal hydrogens. Considered the simplest of the boron cage compounds. Used as a reducing agent, rubber vulcanizer, an olefin polymerization catalyst and in rocket propellants. Suggestion Box -------------------------------------------------------------- Have an idea for a new feature you would like to see at WebMolecules? Let us know at: newideas(a)webmolecules.com Recent Upgrades and New Features -------------------------------------------------------------- - You can search the entire WebMolecules Library by formula. - SEARCH can now accept formula strings in any order. - Email Models to Friends. Use the Email-a-Model link. - 100's of large macro-structures have been added. - New Visitor Uploads are available in Category 28.0 - Support for both Chime and VRML plug-ins - For performance reasons, large molecules (>150 atoms) are available for the Chime viewer only. - Mirror sites for the VRML plug-ins have been added. See: http://www.webmolecules.com/vrmlint.shtml - Mirror sites for the Chime plug-in has been added. See: http://www.webmolecules.com/chimeint.shtml - Resizable viewing window - Support for uploads and model requests - Improved support for bookmarks - 3D coordinate downloads (M3D, MOL, PDB) -------------------------------------------------------------- WebMolecules.com is a FREE, sponsor-supported site. Designed for the 3D visualization of molecules, it contains over 150,000 molecular structures in 3D. Thousands of common molecules are organized into 30+ categories. Our TOP 2000 includes molecules of commercial value, educational importance, and of topical interest. It is indexed by formula and category and is also fully searchable. Our TOP 2000 molecules include: - Top 100 pollutants - Top 100 commercial chemicals - Top 200 pharmaceuticals - Common valence geometries - Common orbital configurations WebMolecules.com is great for student and classroom use. -------------------------------------------------------------- KNOW SOMEONE WHO MIGHT ENJOY WEBMOLECULES? Feel free to forward WebMolecules News to your colleagues. If you received this issue from a friend and would like to receive information directly, you can join our mailing list by clicking the Free Newsletter link at: http://www.webmolecules.com or better yet, tell them to sign-up directly on: http://www.webmolecules.com/newsletter.shtml To cancel this newsletter, send an email to: unsubscribe(a)webmolecules.com -------------------------------------------------------------- Enjoy, Phil Stevens <phils(a)webmolecules.com> -------------------------------------------------------------- First visit? Use: http://www.webmolecules.com/setup.shtml Need help? Try: http://www.webmolecules.com/plugins.shtml For Graphics, go: http://www.webmolecules.com/faq_plug.shtml For Printing, go: http://www.webmolecules.com/faq_plug.shtml chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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