November 1996 - chemweb - imperial.ac.uk

Molecule Editor in Java
by Denis M. Bayada 18 Feb '99

18 Feb '99

Dear all, I have just finished writing a molecule editor in JAVA. If anyone is interested, it is available at : http://www.chem.leeds.ac.uk/ICAMS/people/denis/moledit.html You may freely download the Java source code and modify it. Any comments are indeed welcome. Thank you Denis --------------------------------------------------------------------- Denis M. Bayada e-mail: denis(a)mi.leeds.ac.uk ICAMS voice: (44) (0)113 233 65 95 School of Chemistry fax: (44) (0)113 233 65 63 University of Leeds http://www.chem.leeds.ac.uk/ICAMS/people/denis Leeds LS2 9JT ENGLAND ... but as I proceeded in my labour, it became every day more horrible and irksome to me. Sometimes I could not prevail on myself to enter my laboratory for several days, and at other times I toiled day and night in order to complete my work. It was, indeed, a filthy process in which I was engaged. Frankenstein (Mary Shelley) --------------------------------------------------------------------- ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Intermolecular Interactions - Structural Chemistry Indaba II
by Craig Taverner 29 Nov '96

29 Nov '96

STRUCTURAL CHEMISTRY INDABA II - INTERMOLECULAR INTERACTIONS FIRST ANNOUNCEMENT AND CALL FOR CONTRIBUTIONS This posting is being sent to a number of mail lists, and we appologise in advance if you receive it more than once. Please could you inform any potentially interested collegues and students of this conference announcement, and, if possible, post it on any relevant departmental noticeboards. One page postscript versions are available on request. We also welcome any interest from students and young scientists. The information contained below is a copy of the information on the conference WWW page: http://www.gh.wits.ac.za/indaba The WWW page should be considered the definitive source, and will be updated regularly. Pre-registration and booking of accomodation places can be achieved with the registration form: http://www.gh.wits.ac.za/indaba/reg-indaba.html Any emails should be directed to "indaba-org(a)hobbes.gh.wits.ac.za". Yours Sincerely, The Organizing Committee **************************************************************************** Contents: [Theme] [Invited Lecturers] [Venue] [Cost] [Transport] [Accommodation] [Registration] [Contacts] **************************************************************************** Due to the success of the First Small-molecules Indaba, this second Indaba is being planned for 3rd to the 8th August 1997. Structural Chemistry Indaba II 3-8 August 1997 Intermolecular Interactions **************************************************************************** An international workshop organized by the South African Crystallographic Society in collaboration with the Commission on Structural Chemistry of the International Union of Crystallography. IUCr Scientific Freedom Policy Statement: The Organising Committee of the Structural Chemistry Indaba shall observe the basic policy of non discrimination and affirms the rights of scientists throughout the world to adhere to or to associate with international scientific activity without restrictions based on nationality, race, colour, age, religion, political philosophy, ethnic origin, citizenship, language, or sex, in accordance with the Statutes of the International Council of Scientific Unions. At this conference no barriers will exist which would prevent the participation of bona fide scientists. Indaba is an African term to describe a meeting to analyze a difficult problem from all angles **************************************************************************** Theme - Intermolecular Interactions Each of the invited lecturers will address a different aspect around the central theme of Intermolecular Interactions, starting with a critical overview of the assumptions common amongst structural chemists. The idea of intermolecular interactions relates to the notion that materials in the bulk consist of weakly interacting units, or molecules, in the sense that intramolecular interactions are stronger than these, by orders of magnitude. In view of this it is argued that, by ignoring the weak interactions, the same molecular units that occur in the gas phase can be recognized in condensed phases. At the same time it is commonly accepted that solid materials exhibit many properties not apparent in other phases and acquired as a result of intermolecular interactions only. From both points of view the concept is rather ill-defined and of questionable importance. The problem relates to the model of choice to describe condensed phases. Defined as single quantum-mechanical systems there is no basis to distinguish between intra- and intermolecular forces. An intermolecular interaction is then defined only for the gas phase, where it is practically negligible in any case. An attempt to distinguish between intra- and intermolecular interactions necessarily fails to recognize their interdependence and creates artifacts to be used later on as independent concepts, in terms of which to explain chemical behavior. In terms of deformation electron densities in crystals the distinction becomes even more vague and the definition of molecular units even more arbitrary. Answers to these questions are probably not simple and different points of view can surely be formulated in all cases. In this sense it provides a worthy topic for discussion at a special symposium in the spirit of the 1995 Small-molecules Indaba. **************************************************************************** Invited Lecturers Note: This is a preliminary list. Some still have to be confirmed and one or two more lecturers may still be invited. Name From Topic F.H.Allen Cambridge, UK The relationship between theory and experiment in the study of non-covalent interactions. A.Amann ETH, Switzerland The shape of interacting molecules I.Bernal Houston, USA Conglomerate Crystallization. J.C.A.Boeyens Witwatersrand, Intermolecular Bonding South Africa D.Braga Bologna, Italy Supramolecular organization in organometallic crystals. P.Comba Heidelberg, Intermolecular effects in Germany coordination chemistry. T.Cundari Memphis, USA Modeling intermolecular effects G.Gilli Ferrara, Italy Strong interactions (or incipient interactions) in molecular crystals: an implicit criticism of the inter-intramolecular dichotomy. J.A.K.Howard Durham, UK Intermolecular effects at 10K. C.Krueger MPI, Germany Electron deformation densities. T.Koritsanszky Berlin, Germany Electron densities between molecules. P.Luger Berlin, Germany Interactions at low temperatures. J.Ogilvie Oregon, USA Dynamic aspects of intermolecular interactions. A.G.Orpen Bristol, UK Structural evidence of intermolecular interactions. E.Osawa Japan Design of Crystal Properties. D.Rouvray UK Fuzzy logic applied to the molecular sphere. B.T.Sutcliffe York, UK Molecular properties in different environments. **************************************************************************** Venue As with the Conference in August 1995, the second Indaba will be held in one of the most famous national parks in the world and the oldest one in Africa, the Kruger National Park. The same venue as before, the picturesque Skukuza camp, has been secured for the duration of the workshop. One of the Park's main objectives is to maintain the ecosystem in its natural state and to offer the visitor an unrivaled experience of African wildlife. While offering excellent accommodation facilities, the Park has retained a genuine African atmosphere - to the delight of the scores of visitors to the New South Africa. The Climate is subtropical, with days normally sunny, warm and clear. During August, just before the onset of the warm African summer, the temperatures are moderate and pleasant. In this regard the South African author and nature lover, C Louis Leipoldt, wrote: "The ideal time to visit the Bushveld is in winter, from May to November. Then the climate is charmingly even: its mornings, when the sun tinges the tops of the bush, are delightfully crisp and cool; its noon is pleasantly but not relaxingly warm; its afternoons and evenings, stained by an all-too-brief afterglow with amazingly vivid colouring, are as mild and beautiful as a summer's night in Europe". Excursions into the Park will give both delegates and accompanying persons many opportunities to view the unparalleled diversity of wildlife, including antelope, buffalo, elephant, lion, leopard, cheetah, wild dog, hyena, jackal, black and white rhinoceros, an exceptional variety of bird species and numerous other wild creatures. Skukuza is the Kruger Park's main camp. Dress code: Casual. **************************************************************************** Cost Final Pricing Registration fee includes admittance to all scientific sessions, the Book of Abstracts, the meet and greet party on Sunday, the traditional $330 braai, a daily finger buffet breakfast and teas, as well as daily excursions into the park Early registration payment must be received before April 15, 1997 $280 Student registration For subsidised students $100 Accompanying persons registration fee includes only the traditional braai and daily excursions into $100 the park Transport between the airport and Skukuza camp includes entrance fee into Kruger Park $100 Banquet a traditional dinner to be held on Tuesday 5th $30 Note: * The above costs do NOT include accommodation costs nor meals not explicitly included above. * The daily finger breakfast buffet will be provided at the lecture hall, as will the teas. * The camp has restaurant facilities for normal meals, breakfast, lunch and supper, with prices ranging from $5 to $12. * People making their own way to the park will have to pay for the park entrance at the gate (about $15 per car and $4 per person).. * PLEASE NOTE: The number of participants is restricted due to limitations in accommodation at Skukuza camp. PLEASE BOOK EARLY. **************************************************************************** Transport International Johannesburg International Airport is well utilized by many major airlines from Europe, America and most other parts of the world. Normally trips from Europe last over 12 hours and are undertaken overnight, so leaving on the evening of Saturday the 2nd of August will allow you to arrive at JIA on Sunday the 3rd. Flights leaving JIA on the evening of Friday 8th August will arrive in Europe on the morning of Saturday 9th. Travelers from Europe will feel no jet lag, but the Americas are 6 to 9 hours behind South Africa, while Asia is 2 to 10 hours ahead. Visas may be required for some countries. Please make all travel arrangements with your local travel agents, but inform us of your arrival date, time, flight number etc. Coach Transport from the airport to the Skukuza camp in the Kruger National Park will be provided by coach for those that require it, at a cost of $100 per person. The bus trip will include refreshments and orientation information. For accompanying persons, and conference attendees, the bus will remain available for daily excursions into the park for the duration of the conference. The use of the bus for these excursions is included in the registration fee. The full bus fare is for the trips to and from the airport on the 3rd and 8th. Preliminary dates are: JIA to Skukuza morning of 3rd August Park outings afternoons of 3rd to 7th August Skukuza to JIA afternoon of 8th August Car Rental Many international car rental companies (Avis, Hertz, Bugdget, etc.) are represented in South Africa. Attendees wishing to rent cars should apply through their local travel agents. **************************************************************************** Accommodation Accommodation available at Skukuza camp is in typical national park style. The rondawels are individual huts with hot and cold running water, linen service, and full ablution facilities. The number of beds per rondawel ranges from 2 to 6. To facilitate bookings the accommodation has been grouped into three categories. The following prices are per person per night: category price pp pn deposit luxury (single) $60.00 $150.00 standard (sharing) $30.00 $75.00 basic (sharing) $25.00 $65.00 * Please indicate your order of preference on the registration form * Families or groups wishing to stay together must contact us well in advance to ensure booking of appropriate accommodation. Prices for such arrangements will depend on final availability. * Because the accommodation capacity within each category varies, it is impossible to guarantee a specific allocation. We will, however, try our best to meet your specific requirements. * Accommodation will be allocated on a first come, first served basis. * For shared accommodation, please indicate any partner preferences. * The required deposit must be received by 31st June 1997 and will contribute towards the full accommodation cost, the balance of which can be settled on arrival. **************************************************************************** Registration and Submission of Abstracts Deadlines early bird registration 15th April 1997 final registration 15 June 1997 final payments due 31 June 1997 submission of abstracts 31 June 1997 Cancellation Penalties before 31st July 50% after 31st July no refund Registration A registration form is available on the WWW at http://www.gh.wits.ac.za/indaba/reg-indaba.html. This form can be used for preliminary registration to book a place at the indaba. If you would prefer to fax the registration form, you may do so by either printing the WWW page, or by using the text only page at http://www.gh.wits.ac.za/indaba/reg-indaba.txt. This text only page is also ideal for emailing your registration to the primary contact email address below. Payment There are two preferred methods of payment 1. Direct bank transfer into the bank account: "Structural Chemistry Indaba" Account number 1951076273 NedBank, Johannesburg,Wits branch 19510502 SOUTH AFRICA 2. Cheque or bank draft made payable to the above account and mailed to the primary registration mail address below. Please also contact us via email, fax or mail when you make the transfer, so that we have our own record of the payments. If you would prefer to pay with a credit card, arrangements can be made, but a surcharge of 6% will be charged. Submission of Abstracts Submission of abstracts can be made by mail, email or ftp. If using mail or email, please post to the primary contact address below. If using ftp please ftp into the anonymous ftp account at ftp://www.gh.wits.ac.za/indaba. Electronic submission of abstracts will be accepted in the following formats only: * plain text (ASCII) * postscript * TeX and LaTeX * WP5.1 and WP6.0 for DOS or Windows (not Macintosh) * Word2.0 for Windows (not Macintosh) All these formats will be accepted for ftp submissions. For email submissions, the plain text, TeX, LaTeX and postscript files can be sent in the body of the email or as attachments, while the WP and Word files must be sent as attachments. apologies, but Macintosh attachments can NOT be accepted. If you are using a Macintosh email program, please only use the text formats (plain text, postscript, TeX or LaTeX) and include the submission in the body of the mail. Note that since the number of participants will be limited, and interest in the conference is high, early registration is very advisable. **************************************************************************** Contacts The primary means of contacting the organizers for information, registration, and submission of abstracts will be through the e-mail address: indaba-org(a)hobbes.gh.wits.ac.za . This address is guaranteed to reach the person most likely to be in a position to answer any questions you might have, or provide the information you are looking for. The primary telephone, fax and mail address for submission of registration, abstracts and payment by cheque or bank draft is: Lesley Stephenson Structural Chemistry Indaba tel: +27-11-716-5091 CEE Conference Office s-mail: PO Box 327 Wits University WITS 2050 fax: +27-11-716-7835 South Africa If you specifically wish to contact individuals, use the following contact details: Programme Committee Chairman Organizing Committee Chairman e-mail: Prof. Jan Boeyens e-mail: Dr. Demi Levendis jan(a)hobbes.gh.wits.ac.za demi(a)hobbes.gh.wits.ac.za Prof. Jan Boeyens Dr. Demi Levendis Structural Chemistry Indaba Structural Chemistry Indaba Chemistry Department Chemistry Department s-mail: Private Bag 3 s-mail: Private Bag 3 Wits University Wits University WITS 2050 WITS 2050 South Africa South Africa tel: +27-11-716-4097 tel: +27-11-716-2348 fax: +27-11-716-3826 fax: +27-11-716-3826 Conference Organizers Internet and Communications e-mail: Lesley Stephenson e-mail: Craig Taverner Stephenson(a)egoli.min.wits.ac.za craig(a)hobbes.gh.wits.ac.za Lesley Stephenson Craig Taverner Structural Chemistry Indaba Structural Chemistry Indaba CEE Conference Office Chemistry Department s-mail: PO Box 327 s-mail: Private Bag 3 Wits University Wits University WITS 2050 WITS 2050 South Africa South Africa tel: +27-11-716-5091 tel: +27-11-716-2290 fax: +27-11-716-7835 fax: +27-11-716-3826 **************************************************************************** last change 29/11/96 This site is maintained by Craig Taverner (craig(a)hobbes.gh.wits.ac.za) **************************************************************************** **************************************************************************** ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Re: Web resources
by Dr Robert Lancashire 29 Nov '96

29 Nov '96

Dr Mike Hannant and web chem readers At UWI, Mona recently the problem of getting "browny points" for work done on web material came up for discussion. One suggestion was that the University should put in place a system whereby staff were free to publish web pages but would only acknowledge those that had been peer-reviewed when it came to assessment or promotion purposes. Hence if it took a while for the review to happen, the pages would still be out there for access but only after peer review would the "official" rubber stamp be attached saying this was now accepted by the Uni as being of publication quality. Feedback is critical and a set of well authored pages on chemical topics would be an enormous benefit to all students and teachers alike. -- Dr. Robert Lancashire http://wwwchem.uwimona.edu.jm:1104/uwichem.html Department of Chemistry mailto:rjlanc@uwimona.edu.jm University of the West Indies Tel: (809) 927-1910 Mona Campus, Kingston 7, JAMAICA Fax: (809) 977-1835 ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Help: ejournals not convertible to paper (fwd)
by Anne 22 Nov '96

22 Nov '96

I have forwarded this because the example given is a chemical one, and people on this list should know more about that than anyone else! Anne (atcostig(a)brad.ac.uk) ______________________________ Forward Header __________________________________ Subject: Help: ejournals not convertible to paper Author: arl-ejournal(a)cni.org at :external_mail Date: 21/11/96 17:01 From: Peter Graham, Rutgers University Libraries For a report I am writing I would appreciate the names (and URL's if possible) of ejournals that offer information presented in a way that is not easily convertible to paper, if at all. I'm trying to describe the spectrum of ejournals which range from replications of the printed versions to new forms that provide information in new ways. I can envision a journal that might provide a rotatable image of a chemical compound, for example, or have embedded integrally in it a performance clip, or might show effects on an airfoil in a windtunnel of changes in shape or composition, and the like. We've talked about how electronic publications can provide this sort of thing, but I don't easily come up with any yet. I'm guessing this might be of interest to the list so it might be worthwhile responding to us all, if kept brief. Thanks in advance. Real examples of such "pages" would be helpful if not behind a barrier of subscription arrangements. --pg Peter Graham psgraham(a)rci.rutgers.edu Rutgers University Libraries 169 College Ave., New Brunswick, NJ 08903 (908)445-5908; fax(908)445-5888 <URL:http://aultnis.rutgers.edu/pghome.html> Return-Path: <owner-arl-ejournal(a)cni.org> Received: from a.cni.org by res.lse.ac.uk with SMTP (PP); Fri, 22 Nov 1996 10:41:21 +0000 Received: from localhost by a.cni.org id <AA03724(a)a.cni.org>; Fri, 22 Nov 1996 03:29:12 -0500 Received: from amenti.rutgers.edu by a.cni.org id <AB13094(a)a.cni.org>; Thu, 21 Nov 1996 16:59:57 -0500 Received: (from psgraham@localhost) by amenti.rutgers.edu (8.6.12+bestmx+oldruq+newsunq/8.6.12) id RAA28448 for ARL-EJOURNAL List <arl-ejournal(a)cni.org>; Thu, 21 Nov 1996 17:01:18 -0500 Message-Id: <CMM-RU.1.5.848613678.psgraham(a)amenti.rutgers.edu> Date: Thu, 21 Nov 96 17:01:18 EST Reply-To: arl-ejournal(a)cni.org Sender: owner-arl-ejournal(a)cni.org Precedence: bulk From: "Peter Graham, RUL" <psgraham(a)rci.rutgers.edu> To: Multiple recipients of list <arl-ejournal(a)cni.org> Subject: Help: ejournals not convertible to paper X-Sender: Peter Graham <psgraham(a)rci.rutgers.edu> X-To: ARL-EJOURNAL List <arl-ejournal(a)cni.org> X-Listprocessor-Version: 7.2 -- ListProcessor by CREN ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Upgrade to the LINX
by Rzepa, Henry 21 Nov '96

21 Nov '96

Apologies to non UK members! This is a typical national problem, ie in the UK, the inter-connectivity between the .co and .ac domains has gradually degraded to the point that it is almost impossible for one to load the other's web pages. This is probably particular to the UK infra-structure, although comments from people outside the UK on their .edu vs .com connectivity etc are most welcome!! >UPGRADE TO BANDWIDTH BETWEEN JANET AND THE UK COMMERCIAL IP PROVIDERS > >As you may be aware there has been for some time a congestion problem >between JANET and the UK commercial IP providers, resulting in poor >performance when JANET users access facilities on commercial networks, >and vice versa. > >In recognition of this problem, UKERNA obtained agreement from the >JISC to install additional bandwidth JANET to the LINX (the connection >point at which access between most UK IP networks is provided). This >has now been installed and, subject to the usual need for a few days' >settling down, JANET users should see a significant improvement in >performance to the commercial IP networks in the UK. > >For those that are interested in the details, the upgrade was to >install another SuperJANET 10 Mbps SMDS connection at Telehouse, where >the LINX is located. This means that there are now two 10 Mbps >connections at Telehouse, with the expectation that one will be devoted >to access from JANET to the European research networks, and the other >to LINX traffic. (Previously these two streams shared a single SMDS >connection, and it was necessary to apply restrictions to the LINX >traffic to protect the European traffic. Part of the discussion UKERNA >had with the JISC was to reach agreement that both types of access >merited equal treatment.) > >The current traffic levels being seen are as follows: > >LINX into JANET ca. 8-9 Mbps >JANET into LINX ca. 5 Mbps > >"Europe" into JANET ca. 4 Mbps >JANET into "Europe" ca. 4 Mbps > >Because the traffic from the LINX is already coming close to the SMDS >access classs limit of 10 Mbps, we're currently allowing some LINX >traffic into JANET to use the "European" SMDS connection, which has >spare capacity. If it becomes apparent that this is adversely impacting >European traffic, we will restrict the LINX traffic to one SMDS >connection. > >It is clear that the current provision will not be sufficient for very >long; consequently UKERNA is submitting to the JISC costings for a >further upgrade. Whether or not this is done will of course be a matter >for the JISC, although our recommendation will be that such an upgrade >is necessary. > >Finally, we would like to apologise for the temporary disruption to >performance yesterday whilst the changes were bedded down. The >re-engineering was slowed down by hardware failures and the need to >respond to a fault on one of the US links; consequently the routing >changes could not be completed as quickly as was wished. During the >re-engineering traffic was at times diverted via the US, which had a >performance impact. > >If you believe there are still problems in your access to any external >networks, please contact the JIPS NOSC (through your normal local >channels) as soon as possible. With a major change of this nature >it is always possible that such settling down problems will occur, and >the NOSC will wish to deal with them as early as possible. > Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ (Eudora Pro 3.0) ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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WWW copyright transfer
by jmg11＠cam.ac.uk 21 Nov '96

21 Nov '96

I have received this message from McGraw Hill Italy: >From: marketing <marketing(a)mcgraw-hill.iunet.it> >Subject: Re: authorisation request > >Dear Dr J.M. Goodman, > this letter is sent to you from McGraw Hill Libri Italia S.r.l., a >publisher (which you surely know) specialized, among other things, in >computer science publications. After looking at Web site named:<cambridge >university, university chemistry laboratory,silicon graphics teaching >laboratory (UK)>, we think that it would be interesting to insert it >entirely in a cd-rom, that belongs to a series of products for the off-line >navigation. McGraw Hill is carring out this product and so we ask you the >copyright free of charge for the settlement (images,texts,sounds) of the >above-mentioned site. Please be informed that many other sites contacted by >us have already sent us their consensus to the operation. >It is clear that through this operation you will surely have a great >advantage in terms of visibility of your site also in reaching users who are >off-line navigators. >We ask you to send us your reply as soon as possible, because the timing for >product realisationis extremely short and there are many other sites to >contact. >We are sure that the present initiative will arouse your interest, so we >thank you in advance for the cooperation that you will grant us. > Yours faithfully > Italo Raimondi > Managing Director > McGraw Hill Libri Italia S.r.l. I asked Mr Raimondi for information about the "many other sites" that have agreed to this copyright transfer, but he replied "for now this information is strictly confidential". I also asked for clarification of his understanding of copyright law in this context, and so far I have received no response. This seems to be a new way for publishers to use information from the WWW. It would increase the visibility of a site, but the transfer of copyright is a significant issue. I do not intend to take up this offer. Would anyone else be tempted? Jonathan Dr J M Goodman jmg11(a)cam.ac.uk Tel:01223 336434 FAX:01223 336362 http://www.ch.cam.ac.uk/CUCL/staff/jmg.html Sec:01223 336342 Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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moo files (fwd)
by Jeffrey J Gosper 18 Nov '96

18 Nov '96

Several "hyperactive chemistry" sites have, besides the usual pdb & xyz links a "mopac output file" link, eg p.moo. As MOPAC output take many varied forms is the '.moo' extension only to be used for a particular type or only part of the output file, or is it generic for all MOPAC output? /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ Dr. Jeff Gosper Dept. of Chemistry BRUNEL University Uxbridge Middx UB8 3PH, UK voice: 01895 274000 x2187 facsim: 01895 256844 internet/email/work: Jeffrey.Gosper(a)brunel.ac.uk internet/WWW: http://www.brunel.ac.uk/~castjjg Re_View's Home page (A molecular display/animation/analysis program): http://www.brunel.ac.uk/depts/chem/ch241s/re_view/re_view.htm \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Solubilities
by DROSSART Claude 16 Nov '96

16 Nov '96

Bonjour, For each undermentioned product, we look for the precise solubility of: - the Compound in Water - the Water in Compound 1,2-Dichloroethane Carbon tetrachloride CCl4 o-Dichlorobenzene 1,1,2,2-Tetrachloroethane 2-Ethyl-1-Hexanol n-Decane n-Dodecane n-Tetradecane n-Hexadecane Kerosene -- Avec les meilleurs sentiments de Claude Drossart, Universite catholique de Louvain-CICO-Chop 1, place Pasteur, 1348-Louvain la Neuve (Wallonie-Belgique) tel: 32-10-472714/ fax: 32-10-473074 drossart(a)cico.ucl.ac.be ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Web resources
by HANNANTM＠rsc.org 15 Nov '96

15 Nov '96

I would like to add to the recent comments on chemweb concerning the duplication of web resources from an Royal Society of Chemistry (RSC) perspective. I wish to propose a role for the RSC in both providing links to 'quality' chemistry web sites and in providing a mechanism where certain key information can be hosted by the RSC. The RSC, as a professional body for chemists, wishes to perform a role in providing access to quality information on the internet. In order to do this the RSC is proposing to set up a formal mechanism to review chemistry web sites. This assessment would be carried out by members of an RSC Committee set up for this purpose and to oversee other initiatives that the RSC will be carrying out on the Internet. The intention of reviewing chemistry web sites is to formalise the assessment of servers that can be accessed from the RSC server under the 'links to other chemistry web sites' page. In the reviewing procedure a site would need to meet a number of criteria, to be established by the committee, in order to be listed under a new 'reviewed web sites' page. I would welcome any feedback on this proposal. If there is enough support for such reviewing, I shall progress setting up the committee. I can also see a role for the RSC in maintaining certain information on its web site, in order to provide a sustainable information resource. Hopefully, this would avoid the duplication of information and, more importantly, the costly work involved in that duplication on the Internet. This information would, of course, have to meet the standards set by the proposed RSC Web Committee, whether it were supplied from within the RSC or by an external information provider. Again I would welcome feedback on this proposal. Dr Mike Hannant Publisher The Royal Society of Chemistry Thomas Graham House Science Park Milton Road Cambridge CB4 4WF UK Tel: +44 (0)1223 432387 Fax: +44 (0)1223 423429 Internet: hannantm(a)rsc.org ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Great On-Line Resource
by Mark Griskey 15 Nov '96

15 Nov '96

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