From owner-hyperchem@hyper.com Wed Feb 7 22:00:46 1996 From: Dragan Vuckovic Subject: HyperChem Workshop - Germany To: hyperchem@hyper.com Date: Wed, 7 Feb 1996 17:43:23 -0500 (EST) Hypercube, Inc. in association with Science direct Presents an Introductory HyperChem Workshop on Computational Chemistry April 24 -26, 1996 University of Paderborn Paderborn, Germany HyperChem is like any other powerful tool: the more you know about it, the more you get out of working with it. For those who wish to learn more about the methods of molecular modeling and computational chemistry, about the ways of working with HyperChem, and about the range of problems you can now tackle on a PC, Hypercube, Inc. (the developers of HyperChem) offer an intensive three-day introductory workshop on molecular modeling with HyperChem. The workshop is pragmatic and application-oriented and makes no assumption of previous computational chemistry experience. Workshop Objectives The workshop will introduce you to techniques for working efficiently with HyperChem and other Hypercube's products, provide a pragmatic user's guide to the scientific methods behind HyperChem, and include many hands-on exercises based on practical molecular modeling problems. Workshop Outline Day 1. Morning: Overview of Computational Chemistry Techniques; HyperChem Graphical Interface Afternoon: Molecular Mechanics Methods Laboratory session Day 2. Morning: Approximate and Semiempirical Molecular Orbital Methods; Ab initio Molecular Orbital Methods Afternoon: Frontier Orbital Theory: Examining Molecular Reactivity; Laboratory session Day 3. Morning: Molecular Dynamics; Molecular Spectroscopy; QSAR/Group Contribution Methods Afternoon: Laboratory session (optional) Costs and Venue The cost for the three-day course is 1295 DEM (Academic and Government discount price is 995 DEM). For early registration (before March 15) the price is $1195 DEM (895 DEM - academic). This covers the cost of course materials, coffee, lunches, and a PC to work on for the duration of the course (each participant will have his/her own machine). All the payments should be done to Science direct. The number of participants is limited, so that extensive interaction with the workshop instructors is possible. Bring your own problems to work on during the course! The course will be held at the University of Paderborn, Department of Chemistry, Warburgerstr. 100, D-33098, Paderborn, Germany. A map and a list of nearby reasonably-priced hotels will be sent to all participants upon registration. The participants are expected to make their own travel and accommodation arrangements. Registration To register for the Workshop, please complete the form and return as soon as possible to: Dr. Heinz Hofmann Science direct Sandrangen 3 D-91257 Pegnitz-Buchau Germany e-mail: 100411.2306@compuserve.com Tel. +49-(0)9241- 91216 Fax: +49-(0)9241 - 91217 Registration Form HyperChem Workshop on Computational Chemistry University of Paderborn, Paderborn, Germany April 24-26, 1996 Please reserve ____ spaces for the above workshop. NAME _____________________________________________________ ORGANIZATION ____________________________________________ POSITION __________________________________________________ ADDRESS FOR CORRESPONDENCE ____________________________________________________________ ____________________________________________________________ ____________________________________________________________ TEL. NO. _______________________ FAX NO. ____________________ Fees payable in advance: I enclose a check for __________ DEM Please make your check payable to Science direct. Please invoice me: Purchase Order Number __________________ SIGNATURE _______________________ DATE ___________________ *Cancellation: If a participant cancels on or before April 10th (two weeks before the workshop), 50% of the workshop fee will be refunded. There will be no refunds for cancellations received after April 10, 1995. ___________________________________________________________________ Dr. Dragan Lj. Vuckovic phone: (519) 725-4040 International Marketing Manager fax: (519) 725-5193 Hypercube, Inc. e-mail: vuckovic@hyper.com 419 Phillip Street URL: http://www.hyper.com Waterloo, Ontario Canada, N2L 3X2 ________________________________________________________________________ From owner-hyperchem@hyper.com Thu Feb 8 01:30:02 1996 Date: Wed, 07 Feb 1996 21:07:24 CST From: "Shah, Milan C." To: Subject: regarding charge transfer cmpds TO ANYONE WHO MAY HAVE INFORMATION I AM AN UNDERGRADUATE STUDENT AND AM TRYING TO USE HYPERCHEM TO FIND OUT INFORMATION ABOUT CHARGE TRANSFER COMPOUNDS. WHAT CALCULATION METHOD IS BEST; WHAT ADVANTAGES/ DISADVANTAGES DOES IT HAVE OVER OTHERS--IN THE CALCULATION OF HOMO-LUMO ENERGIES OF DONOR-ACCEPTOR COMPLEXES? AT THIS MOMENT I HAVE NO DIRECTION; ANY REFERENCE OR INFORMATION IS GREATLY APPRECIATED IN ADVANCE. MILAN C SHAH A811%nemomus@academic.nemostate.edu ________________________________________________________________________ From owner-hyperchem@hyper.com Thu Feb 8 19:32:08 1996 Date: Thu, 8 Feb 96 15:21:28 -0500 From: polowin (Joel Polowin) To: "Shah, Milan C." Subject: HyperChem: charge transfer complexes Cc: hyperchem@hyper.com > Date: Tue, 06 Feb 1996 21:28:26 CST > From: "Shah, Milan C." > > I AM A STUDENT AND FIND HYPERCHEM AN INCREDIBLY GOOD > VISUALIZATION AND CALCULATION TOOL. I AM TRYING TO > FIND OUT HOW TO DO CALCULATIONS UPON CHARGE TRANSFER > SYSTEMS. WHAT METHODS CAN I USE TO DO HOMO-LUMO > CALCULATIONS ON THE SYSTEMS? IS AM1 OR PM3 PREFERABLE? > OR ARE OTHER ONES BETTER? WHAT ARE THE ADVANTAGES, AND > WHY ARE THEY USED? You can use any of the methods for which parameters are available for the structures you want to model. Without knowing anything about what structures you're modelling, it's impossible for me to suggest which methods are appropriate, let alone which ones are preferable. A good starting point for you would be to read what's in the _Computational Chemistry_ manual about the methods, and to look up the references in the "Annotated Bibliography" at the beginning of that book. Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com WWW: http://www.hyper.com/ Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" (or "unsubscribe hyperchem") to hyperchem-request@hyper.com; please do not send such administrative messages to the group itself. ________________________________________________________________________ From owner-hyperchem@hyper.com Tue Feb 13 15:52:34 1996 Date: Tue, 13 Feb 96 12:14:25 -0500 From: moller (Michael Moller) To: hyperchem@hyper.com Subject: Note: HyperChem for SGI users A quick note for all of our users of HyperChem 4.5 for SGI. Please make the following change to the file: /usr/lib/X11/app-defaults/Hyperchem Add these two lines: Hyperchem*dragInitiatorProtocolStyle: DRAG_NONE Hyperchem*dragReceiverProtocolStyle: DRAG_NONE after this line: Hyperchem*foreground: white This will eliminate the problems that some users have reported with the middle mouse button. Regards, Michael Moller Senior Scientist ------------ Michael Moller, PhD Email to: moller@hyper.com Hypercube Inc, 7-419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 http://www.hyper.com Info: info@hyper.com Support: support@hyper.com Email group: Send "subscribe hyperchem" to hyperchem-request@hyper.com ________________________________________________________________________ From owner-hyperchem@hyper.com Fri Feb 16 07:27:29 1996 Date: Fri, 16 Feb 1996 16:28:48 +0900 (KST) From: Cheong Song Choi To: hyperchem Subject: [q] Atom coordinate number Hi, I am just a biginner. I am using HyperChem 4.0 and ChemPlus 1.5. I know how to draw the crystal structure of examples in manual and how to build a crystal structure using atom coordinate number. Now, I'd like to operate the crystal builder for more complex materials(for example, NH4NO3, CaCO3, etc). But I don't have any information about the atom coordinate numbers, a,b,c(0<= a,b,c<1). Send me the information about the above compound's atom coordinate numbers or how to get the database of atom coordinate. In the expectation of your answers.. CheongSong Choi ________________________________________________________________________ From owner-hyperchem@hyper.com Mon Feb 19 17:26:43 1996 Date: Mon, 19 Feb 1996 10:55:28 -0500 (EST) To: HYPERCHEM@HYPER.COM From: imcvey@en.com (Iain McVey) Subject: CI: More info on calculation of UV/vis spectra? Dear Hyperchemists, I am using Hyperchem version 3, and I am looking at some CI predictions of UV/vis spectra, and I would like more information about how the CI calculations work than the Hyperchem manual gives. Does anyone out there know aof a good review or series of papers about this topic, I'd be gratful for any any/all sugestions Thanks in advance Iain. _______________________________________________________ Iain McVey Can we know ultimately, Graduate Student and in detail, Kent State University a grain of salt? Kent, Ohio, USA -Carl Sagan 216(soon to be 330) 672 3731 ________________________________________________________________________ From owner-hyperchem@hyper.com Thu Feb 22 15:03:09 1996 Date: Thu, 22 Feb 1996 14:44:51 +0000 (GMT) From: Paddy Kane <94970459@vax1.dcu.ie> Subject: Problem in Running ChemPlus on a PC To: support@hyper.com Cc: hyperchem@hyper.com Hi, A colleague of mine is using HyperChem to model helicenes. Helicenes are a series of benzenes rings (usually seven) fused together. The first and the seventh rings end up being above one another. The optimum distance between these two rings is achieved by distortion out of the plane of the other five rings. The result is that the seven rings take on a helical shape and thus helicenes are chiral. My colleague's problem is that using the model builder generates either the the left-handed or the right-handed helix but we can't figure out how to generate both enatiomers for a given molecule. Thanks in advance for any help that you can provide. Regards, Paddy. Paddy Kane 94970459@vax1.dcu.ie ________________________________________________________________________ From owner-hyperchem@hyper.com Thu Feb 22 15:48:44 1996 Date: Thu, 22 Feb 1996 14:51:28 +0000 (GMT) From: Paddy Kane <94970459@vax1.dcu.ie> Subject: Modelling Helicenes To: support@hyper.com Cc: hyperchem@hyper.com I have being using HyperChem/ChemPlus, mostly on a Pentium but also on a PC when the Pentium is not available. My problem is that when using the PC, I can run HyperChem but when I try to run ChemPlus, I receive the messages: Path not found Application Error HCMANAGE caused a General Protection Fault in module USER.EXE at 0001:8093. I have reinstalled the ChemPlus software and the recent update but to no avail. I would be much obliged for any suggestions that you might have for solving the problem. Regards, Paddy. Paddy Kane 9497049@vax1.dcu.ie ________________________________________________________________________ From polowin Thu Feb 22 22:29:21 1996 Date: Thu, 22 Feb 96 15:54:27 -0500 From: polowin (Joel Polowin) To: Paddy Kane <94970459@vax1.dcu.ie>, support@hyper.com Subject: Re: Problem in Running ChemPlus on a PC Cc: hyperchem@hyper.com > Date: Thu, 22 Feb 1996 14:44:51 +0000 (GMT) > From: Paddy Kane <94970459@vax1.dcu.ie> > > A colleague of mine is using HyperChem to model helicenes. Helicenes are a > series of benzenes rings (usually seven) fused together. The first and the > seventh rings end up being above one another. The optimum distance between > these two rings is achieved by distortion out of the plane of the other five > rings. The result is that the seven rings take on a helical shape and thus > helicenes are chiral. > > My colleague's problem is that using the model builder generates either the > the left-handed or the right-handed helix but we can't figure out how to > generate both enatiomers for a given molecule. See the _Reference_ manual under "Chirality, changes" in the index, for instructions. Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com WWW: http://www.hyper.com/ Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" (or "unsubscribe hyperchem") to hyperchem-request@hyper.com; please do not send such administrative messages to the group itself. ________________________________________________________________________ From polowin Fri Feb 23 18:16:26 1996 Date: Fri, 23 Feb 96 11:45:20 -0500 From: polowin (Joel Polowin) To: Paddy Kane <94970459@vax1.dcu.ie>, support@hyper.com Subject: Re: ChemPlus trouble Cc: hyperchem@hyper.com > Date: Thu, 22 Feb 1996 14:51:28 +0000 (GMT) > From: Paddy Kane <94970459@vax1.dcu.ie> > Subject: Modelling Helicenes > > I have being using HyperChem/ChemPlus, mostly on a Pentium but also > on a PC when the Pentium is not available. My problem is that when > using the PC, I can run HyperChem but when I try to run ChemPlus, I > receive the messages: > Path not found > > Application Error > HCMANAGE caused a General Protection Fault in module USER.EXE > at 0001:8093. The most common cause of this kind of trouble with ChemPlus is a video driver with bugs. The way to test for this is to change the driver to the generic Windows VGA driver. If this stops the trouble, you should contact the people that you obtained your system from to request a video driver update. It is also possible that other software on your system may interfere in ChemPlus's operations. This does not happen often, but when it does, it is usually a TSR program -- for example, a screen saver or a virus checker. You should find out what other software may be running at the same time as HyperChem and ChemPlus. A still less likely cause of trouble is a virus, of course. You may wish to scan your computer for viruses, just to be safe. In a very few cases, it is necessary to start HyperChem before starting ChemPlus. For some reason, the system configuration will not let ChemPlus form a link to a HyperChem session that is started by clicking on the ChemPlus icon. But this does not sound like what you have here. Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@hyper.com WWW: http://www.hyper.com/ Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040 Info requests to: info@hyper.com Support questions to: support@hyper.com Email group: Send "subscribe hyperchem" (or "unsubscribe hyperchem") to hyperchem-request@hyper.com; please do not send such administrative messages to the group itself. ________________________________________________________________________ From owner-hyperchem@hyper.com Sun Feb 25 16:19:46 1996 Date: Sun, 25 Feb 1996 13:52:49 -0800 From: qtel@fcindy5.NCIFCRF.GOV (qtel) To: HYPERCHEM@HYPER.COM Subject: QTEL: Theoretical Chem Latin Expression Dear ListMaster, Could you consider this announcement for your List?. If you consider it would be of interest to the readers of your List, could you post it?. Thank you!. ------------------------------------------------------------------- QTEL-96 The XXIIIrd Congress of Theoretical Chemists of Latin Expression (XXIII QTEL-96) will be held in Caceres, Spain, from the 16th to the 20th of September 1996. Contributions in all areas of quantum chemistry and molecular modelling are welcome. The preliminar registration form (in postscript and electronic formats) and suplementary information can be found at the QTEL-96 home page: http://stark.udg.es/agora/CONGRESS/QTEL Abstracts and communications will be published in electronic format in The Molecular Modeling electronic Conference: http://bilbo.edu.uy/agora If you experience difficulties reaching these addresses try the mirror site of TMMeC closest to your place. A list of mirror sites can be found at: http://bilbo.edu.uy/agora/Mirrors.html South America http://stark.udg.es/agora/Mirrors.html Spain http://uqbar.ncifcrf.gov/agora/Mirrors.html USA When in TMMeC find your way through to QTEL-96 by accesing the Meetings page under the main entrance. If you can not get access using the World Wide Web you may contact the organizers directly. The e-Mail address of QTEL-96 is: qtel96@ba.unex.es or by regular mail at: Prof. A. HIDALGO GARCIA XXIII Congreso Internacional QTEL Departamento de Quimica Fisica Universidad de Extremadura 06071 Badajoz (Spain) Tel: +34-24-289400 Fax: +34-24-275576 or Prof. F. J. OLIVARES DEL VALLE XXIII Congreso Internacional QTEL Departamento de Quimica Fisica Universidad de Extremadura 06071 Badajoz (Spain) Tel: +34-24-289398 Fax: +34-24-275576 ________________________________________________________________________ From owner-hyperchem@hyper.com Wed Feb 28 17:42:18 1996 Date: Wed, 28 Feb 96 17:14 +0200 From: To: amber@cgl.ucsf.edu, anneal@chaco.com, c2-l@msi.com, CAChe@pacificu.edu, charmm-bbs@emperor.harvard.edu, chem-comp@mailbase.ac.uk, watoc@ic.ac.uk, chemistry@infomeister.osc.edu, chem-mod@mailbase.ac.uk, dibug@comp.bioz.unibas.ch, hyperchem@hyper.com, isisforum-l@mdli.com, pmd@cumbnd.bioc.columbia.edu, quanta-l@msi.com, sybyl@extreme.chem.rpi.edu, anchodd@cc.utas.edu.au, mmodlist@chem.iupui.edu Subject: WATOC96 CALL FOR PAPERS The following is a short version of the "call for papers" brochure for WATOC '96. Those who wish to receive the brochure should write to watoc96@vms.huji.ac.il ASAP. However, the time is quite short and we suggest that you employ the home-page for the congress, as detailed below. The registration forms may be filled on the WATOC server- URL http://www.ch.ic.ac.uk/watoc/watoc_israel.html You may also print the appropriate forms from this text, fill them and mail to the Secretariat. FOURTH WORLD CONGRESS OF THEORETICALLY ORIENTED CHEMISTS - WATOC '96 JERUSALEM, ISRAEL, JULY 7 - 12, 1996 DEADLINE FOR THE SUBMISSION OF ABSTRACTS: APRIL 15, 1996 ------------------------------------------------- PRELIMINARY TIMETABLE SUNDAY, JULY 7, 1996 Afternoon: Registration and distribution of Congress material General WATOC Meeting Evening: Informal Welcome Reception MONDAY, JULY 8, 1996 Morning: Opening Ceremony and Award of WATOC Prizes All day: Congress Sessions Evening: Poster Session TUESDAY, JULY 9, 1996 Morning and afternoon: Congress Sessions Late Afternoon and Evening: Tour of Jerusalem and Visit to the Israel Museum WEDNESDAY, JULY 10, 1996 Morning: Congress Sessions Afternoon: Tour of Jerusalem Evening: Poster Session THURSDAY, JULY 11, 1996 All day: Congress Sessions Evening: Banquet (optional) FRIDAY, JULY 12, 1995 Morning: Congress Sessions and Closing Ceremony Afternoon: Optional Post-Congress Tours ------------------------------------------------------------------------ CONGRESS TOPICS Research on all aspects of computational chemistry is appropriate for presentation at the Congress. The Program will consist of Plenary Lectures, Invited Talks, Oral Presentations and Poster Sessions (including an electronic Poster Session). Congress Sessions will be roughly divided according to the three main topics below: * DEVELOPMENT OF THEORETICAL METHODS: AB INITIO, SEMIEMPIRICAL, FORCE FIELDS, DENSITY FUNCTIONAL, PSEUDOPOTENTIALS, VALENCE-BOND, ELECTRON CORRELATION, PERTURBATION THEORY, ETC. * APPLICATIONS IN ORGANIC, INORGANIC, AND ORGANOMETALLIC CHEMISTRY: ELECTRONIC STRUCTURE, REACTION MECHANISMS, CATALYSIS, SOLVENT EFFECTS, PHYSICO-CHEMICAL MEASUREMENTS (NMR, IR, UV, ETC.), MOLECULAR PROPERTIES, FRONTIER ORBITALS, CONFORMATIONAL ANALYSIS, THERMODYNAMICS AND KINETICS, ETC. * BIOCHEMICAL/BIOMEDICINAL THEORY AND APPLICATIONS: PROTEIN STRUCTURE/FUNCTION, ENZYME ACTIVITY AND MECHANISMS, NUCLEIC ACIDS, MEMBRANES, RECEPTOR STRUCTURE/FUNCTION, PROTEIN- DNA INTERACTIONS, CARBOHYDRATES, MOLECULAR DYNAMICS, MONTE- CARLO, QUANTUM MECHANICAL/MOLECULAR MECHANICS CALCULATIONS, SOLVATION, DRUG DESIGN, ETC. PLENARY LECTURERS T. Blundell D. Cremer W. F. van Gunsteren K.N. Houk P. Kollman W. Kutzelnigg K. Morokuma J.A. Pople H. Schwarz S. Shaik W. Thiel F. Weinhold H. Weinstein INVITED SPEAKERS D. Avnir T. Bally M.V. Basilevsky M. Berman F. Bernardi J. Bertran J. Brickmann W.T. Borden C. Cohen T. Clark D.S. Dudis R. Elber G. Frenking J. Gauss J. Gerrat P.M.W. Gill R. Grev W.J. Hehre P.C. Hiberty S. Hoz A. Itai U. Kaldor M. Karni W. Koch D. Kost P. Lam R. Lavery G.H. Loew J.P. Malrieu K. Merz V. Minkin K. Muller S. Nagase E. Osawa A. Perczel A. Pross P. Pyykko L. Radom G. Richards H. Rzepa A. Sali J. Sauer H.F. Schaefer III H.B. Schlegel P.v.R. Schleyer B. Schoichet P. Schwerdtfeger G. Scuseria J. Skolnick R. Sustmann A. Warshel ------------------------------------------------------------- GENERAL INFORMATION An internet site for the Congress is at URL: http://www.ch.ic.ac.uk/watoc/watoc_israel.html. Please examine it regularly for updates. VENUE The Holiday Inn Crowne Plaza, Jerusalem 91130, Israel Tel: 972 2 6588888; Fax: 972 2 6514555. DATES Sunday, July 7 - Friday, July 12, 1996. LANGUAGE The official language of the Congress is English. REGISTRATION FEES until April 15, 1996 after April 16, 1996 Participant US$400 US$450 WATOC Member US$370 US$420 Student US$100 US$120 Accompanying Person US$150 US$150 Fees for PARTICIPANTS and STUDENTS include: participation in scientific sessions, Congress program and book of abstracts, invitations to the Congress tours and social events (excluding the Banquet on Thursday, July 11). Fees for ACCOMPANYING PERSONS include: two half-day tours and invitations to the Congress tours (two afternoons) and social events (excluding the Banquet on Thursday, July 11). You may register for the Congress using the enclosed form, or with the appropriate form on the WATOC Internet server. CANCELLATION POLICY Refund of registration fees will be made as follows: Airmail post-marked* before May 15, 1996 - full refund less US$40 (for handling expenses). Airmail post-marked* after May 15 until June 7 - 75% refund. Airmail post-marked* after June 8 - 50% refund. * or faxed, or electronically mailed VISAS Visas are guaranteed to all bona fide scientists. A visa to Israel is not necessary for participants from most countries (e.g., USA, Western Europe), but we suggest that you consult your travel agent. For participants from countries without diplomatic relations with Israel, please write directly to the Secretariat no later than TWO MONTHS prior to the Congress giving the following details: full name, date and place of birth, passport number and date and place of issue and expiry date, flight details (arrival date and flight number). The Secretariat will arrange for a visa to await you at Ben-Gurion Internatioanl Airport. LETTER OF INVITATION On request the Secretariat of the Congress will be happy to send a personal invitation to participate. It should be understood that such an invitation is only meant to help participants to raise travel funds or obtain a visa. It is not a commitment on the part of the organizers to provide any financial support. CALL FOR PAPERS The Scientific Committee welcomes scientific contributions dealing with any of the Congress main or related topics. Participants who wish to present papers are requested to submit an abstract to the Secretariat no later than April 15, 1996. Submittion of more than one abstract is wellcome. Abstracts submitted after this date may be scheduled for poster presentation, but their inclusion in the Abstract Book cannot be guaranteed. Scheduling and publication in the Congress publications is dependent on the payment of Registration Fees. For guidelines regarding the preparation of Abstracts please see the appropriate page. WATOC ELECTRONIC POSTERS An electronic poster session will be part of WATOC '96 and will begin one month before the Congress. The Chairman of the poster session is Professor Henry Rzepa of Imperial College, London. Professor Rzepa maintains and updates the WATOC server, and all abstracts for the electronic posters should be submitted through the appropriate form on that server. The URL of the server is http://www.ch.ic.ac.uk/watoc For abstracts submission, the URL is http://www.ch.ic.ac.uk/watoc/abstracts/abstract-form.html Help for submitting an electronic poster may be found under http://www.ch.ic.ac.uk/watoc/posters.html All abstracts for the electronic poster session should be submitted no later than April 15, 1996. They will undergo regular refereeing before being mounted for the electronic conference. Abstracts to the electronic conference that are submitted by non-registered participants will not appear in full form in the book of abstracts of WATOC '96. However, abstract titles, authors and URL addresses of the electronic posters will be included in the Congress Book of Abstracts. PROCEEDINGS All oral presentations will be published, following regular journal refereeing, in a special issue of the Journal of Molecular Structure (Theochem) which publishes regularly all the plenary and invited lectures of WATOC conferences. Please indicate on the registration form if you are interested in purchasing the Proceedings. The proposed price for participants is DFl. 175,- (approx. US$120). SCHOLARSHIPS A limited amount of funding may be available for young scientists. Applications should be made directly to the Chairman. They should include a CV and, preferably, letters of recommendation from scientists in the field. The support for young students will not include travel expenses. ------------------------------------------------------------------------------ TRAVEL AND ACCOMMODATION KENES TOURS P.O. Box 50006, Tel Aviv 61500, Israel Tel : 972 3 5140014 Fax : 972 3 5140044 / 5175674 Kenes Tours is the official travel agent for the Fourth World Congress of Theoretically Oriented Chemists and will be offering specially reduced rates for accommodation and Congress Tours. Hotel space has been reserved by Kenes Tours at the following hotels: Per person in a Single Room double room one person DELUXE CLASS Holiday Inn Crowne Plaza* Regular Room US$ 91 US$166 Crowne Club Room** US$117 US$216 SUPERIOR CLASS Park Plaza Hotel US$ 46 US$ 86 TOURIST CLASS Jerusalem Gate US$ 45 US$ 84 Tirat Bat-Sheva US$ 41 US$ 76 * Congress venue ** Crowne Plaza Club rooms include access to the Executive Floor Lounge. All above hotels are located within walking distance of the Congress venue except the Tirat Bat-Sheva hotel which is located in the city center with a regular bus service to the Congress venue. Rates are per night, per person including a large Israeli buffet style breakfast and service charge. STUDENT DORMITORIES A limited number of rooms has been reserved at the Hebrew University student dormitories, approximately 4 km from the Congress venue. Regular bus service to the Congress venue is available. Prices are US$20 per person in a double room, US$25 per person in a single room. Prices do not include breakfast. Applications should be made to the Secretariat. YOUTH HOSTELS Prices are between US$18-US$28.00 per person, per night, including breakfast. For reservations, please write directly to: 1. Israel Youth Hostels Association Convention Center, 1 Shazar St., Jerusalem 91060, Israel. Tel: 972 2 6558400; Fax: 972 2 6558432 2. Beth Shemuel Hostel. 6 Shamah St., Beth Shemuel, Jerusalem 94101, Israel Tel: 972 2 203456; Fax: 972 2 203467 Regular bus service to the Congress venue is available. HOW TO BOOK In order to benefit from the special congress rates, kindly send the enclosed Accommodation Form with the required deposit (see below) by AIRMAIL at your earliest convenience. You may also reserve accommodation for the Congress using the appropriate form on the WATOC Internet server. Reservations will be confirmed on a 'first come first served' basis. PAYMENT Payment of services (less deposit) should be made at the Kenes Tours Hospitality Desk upon registration. Kenes Tours accepts Travelers' cheques and Eurocheques (in the currency of the issuing country), Visa, MasterCard, American Express and Diners Club credit cards. Payment in Israeli currency is subject to Value-Added Tax which is currently 17%. IMPORTANT NOTES * Participants requiring single rooms will be accommodated in double rooms for single occupancy, without additional charge. * Kenes Tours reserves the right to change the requested hotels to those of a similar grade or better. * Kenes Tours and their agents shall not be responsible for, and shall be exempt from, all liability in respect of any loss, damage, injury, accident, delay or inconvenience to any person, or his/her luggage or any other property, for any reason whatsoever, for any tourist services provided. * Personal travel and health insurance is highly recommended. * Official check-in time for hotels is 14:00 and check-out time is noon. CANCELLATION POLICY Up to May 15, 1996 - full refund less bank charges Up to July 1, 1996 - cancellation charge of $ 50.00 per room After July 1 - cancellation charge of one night accommodation at your selected hotel. ------------------------------------------------------------------------------ FOURTH WORLD CONGRESS OF THEORETICALLY ORIENTED CHEMISTS - WATOC '96 JERUSALEM, ISRAEL, JULY 7-12, 1996 REGISTRATION FORM Please complete and return this form, together with your payment, to: Secretariat WATOC '96 P.O.Box 50006, Tel-Aviv 61500 Israel Tel: 972-3-5140000 or 972-3-5140014 Fax: 972-3-5175674 or 972-3-5140077 Identification -------------- -------------- Please complete this section accurately; the information you provide will allow us to correspond with you efficiently, and it will also be used for your delegate badge at the Congress. Participant (Please TYPE or PRINT IN BLOCK LETTERS) Surname______________________________________________________________________ Initials_____________________ First name __________________________________________________________________ Title [ ] Prof. [ ] Dr. [ ] Mr. [ ] Mrs. [ ] Ms. Department___________________________________________________________________ Institution _________________________________________________________________ Mailing Address [ ] Office [ ] Residence ------------------------------------------------- ------------------------------------------------- No.___________Street___________________________________Suite/Apt.____________ City____________________________State/Province_______________________________ Country_________________________Postal Code__________________________________ Telephone (office hours) Country/city/number_________________________________ Fax Country/city/number_________________________________ E-Mail Address_______________________________________________________________ Accompanying persons -------------------- -------------------- List only those individuals registering for the Accompanying Persons' Program: Surname______________________________First name_________________Title_________ Surname______________________________First name_________________Title_________ Surname______________________________First name_________________Title_________ Surname______________________________First name_________________Title_________ Registration Fees ----------------- ----------------- Please check the appropriate box/s Until April 15, 1996 After April 16, 1996 Participant [ ] US $400 [ ] US $ 450 WATOC Member [ ] US $370 [ ] US $ 420 Student [ ] US $100 [ ] US $ 120 Accompaning Person/s x____ [ ] US $150 [ ] US $ 150 Banquet [ ] US $ 50 [ ] US $ 50 Payment ------- ------- Please indicate amount enclosed and ensure that you send your fully completed registration form together with your payment: Total Fees: $_______________US Method of Payment ----------------- ----------------- Option 1: Credit Card - Payments will be charged in US $ [ ] Visa [ ] MasterCard [ ] Diners [ ] American Express Number_____________________________Expiry Date (month/year)___________________ Name as shown on card: Surname__________________________________First name___________________________ Signature________________________________Date (day/month/year)________________ For payment by Visa, please indicate home address if other than mailing No._____________Street_________________________________Suite/Apt._____________ City____________________________State/Province________________________________ Country_________________________Postal Code___________________________________ Option 2: Bank Transfer - with your name and address indicated on the reverse. If payment is made for more than one person or by a company - please make sure that all names are indicated and send fully completed regsitration forms together with a copy of the bank transfer. Please make drafts payable to: "WATOC '96" and send them to Bank Leumi Le'Israel, Gan Hair Branch, Tel Aviv, Israel, Account number 816-56027/73 Patam. Bank charges are the responsibility of the payee and should be paid in addition to the registration fees. Option 3: Cheque made payable to "WATOC '96" Enclosed cheque number__________________ Bank________________________________ _______________________________________________________________________________ Please include fully completed registration form Cancellation policy ------------------- ------------------- Refund of Registration fees will be made as follows: Post-marked* prior to May 15, 1996 - full refund less US$ 40 handling fee Post-marked from May 15 until June 7 - 75% refund Post-marked after June 8 - 50% refund * or faxed, or electronically mailed [ ] I am interested in ordering the Congress Proceedings (Dfl. 175 ~ US$ 120) DATE__________________ SIGNATURE________________________________________ ----------------------------------------------------------------------------- COMPLIMENTARY CONGRESS TOURS OF JERUSALEM All tour descriptions for participants and for accompanying persons may be found on the WATOC server. Two tours of Jerusalem for participants and two more tours for accompanying persons are scheduled. Pre and post congress tours are available in Israel and to Egypt and Jordan. ----------------------------------------------------------------------------- FOURTH WORLD CONGRESS OF THEORETICALLY ORIENTED CHEMISTS - WATOC '96 Jerusalem, Israel, July 7 - 12, 1996 ACCOMMODATION, TOURS AND ARRIVAL TRANSFER FORM Please TYPE or PRINT in BLOCK LETTERS and AIRMAIL to: KENES TOURS P.O.Box 50006, Tel Aviv 61500, Israel Tel : 972 3 5140004, Fax: 972 3 5140044/5175674 SURNAME __________________ FIRST NAME __________________________ ADDRESS _________________________________________________________ _________________________________________________________________ _________________________________________________________________ COUNTRY __________________ TEL NO. ____________________ FAX NO. ____________________________ E-MAIL ADDRESS_________________________________________________ TYPE OF ROOM REQUIRED: [ ] double [ ] single [ ] other __________________ * I will share my accommodation with __________________________________ I/We require hotel accommodation as follows: First choice: -------------------------------------- Second choice: ------------------------------------ Check-in date:__________Check-out date:_________ No. of Nights__________ TOURS : NO. OF SEATS [ ] A. Beth Shean, Nazareth, Tiberias, Saturday, July 6, 1996 ____________ [ ] B. Dead Sea and Masada, Sunday, July 7, 1996 ____________ [ ] C. Egypt Tour, July 3-7,1996 oSingle oDouble*____________ [ ] D. Galilee Tour,Fri-Sun, July 12-14, 1996 oSingle oDouble*____________ [ ] E. Jordan Tour,Sun-Tues, July 14-16, 1996 oSingle oDouble*____________ * I will share my accommodation with _______________________________ ARRIVAL TRANSFER : Arrival on _______________________ Airline/Flight _________________ at ____________ hours. [ ] Please arrange arrival transfer to Jerusalem Congress hotels at an additional cost of US$30.00 per person on a car sharing basis. HOTEL DEPOSIT : All requests for accommodation must be accompanied by a deposit of one night accommodation of your selected hotel per room. Please make cheque payable to Kenes Tours or charge deposit to credit card, as per below: [ ] Cheque enclosed [ ] Credit card __________________________________ Number _____________________________ Expiration Date________________ SIGNATURE __________________________ DATE ____________________ --------------------------------------------------------------------- ABSTRACTS INFORMATION FORM DEADLINE FOR THE RECEIPT OF ABSTRACTS: APRIL 15, 1996 Please state below the name, address and title of presenting author: FAMILY NAME___________________________________________________ FIRST NAME______________________________________________________ TITLE____________________________________________________________ ADDRESS_________________________________________________________ _________________________________________________________________ ________________________________________________________________ COUNTRY________________________ FAX____________________________ TELEPHONE NUMBER_______________________________________________ E-MAIL ADDRESS__________________________________________________ I wish to submit the enclosed abstract for [ ] oral [ ] oral and video [ ] poster presentation 1. Abstracts should be typed on plain white paper in a rectangle 17cm x 23cm. The entire abstract, including title, author(s), institution(s), country and acknowledgments must fit within the rectangle. 2. Abstracts will be printed exactly as submitted. Font size should be equal or larger than 10 pts. Abstracts should be typed on an electric typewriter or be of print quality out-put. A dot-matrix printout is not acceptable. 3. Capitalize and do NOT indent title. Title should be followed by author(s)' name(s) on a separate line and, on the following line - institution, city and country. First names or initials must precede last name. Leave one line between the title and the author's names. Underline the name of the presenting author. Begin body of the abstract on a new line and indent five spaces. 4. PLEASE DO NOT FOLD OR FAX YOUR ABSTRACTS 5. Abstracts should be sent with five (original and four copies) copies to: Secretariat WATOC '96, P.O. Box 50006, Tel Aviv 61500, Israel _______________________________________________________________ Prof. Amiram Goldblum Chairman of WATOC '96 Phone 972-2-758701 Hebrew University of Jerusalem FAX 972-2-410740 School of Pharmacy email watoc96@vms.huji.ac.il Jerusalem 91120 ISRAEL ________________________________________________________________ ________________________________________________________________________ From owner-hyperchem@hyper.com Thu Feb 29 14:23:31 1996 From: gerardo@houston.cray.com (Gerardo Cisneros) Subject: REMINDER: Abstract Deadline To: amber@cgl.ucsf.edu, anneal@cs.ucla.edu, apchem@mailbase.ac.uk, c2-l@msi.com, cache@pacificu.edu, charmm-bbs@emperor.harvard.edu, chemconf@umdd.umd.edu, chemistry@infomeister.osc.edu, dibug@comp.bioz.unibas.ch, hyperchem@hyper.com, mmodinfo@uoft02.utoledo.edu, sybyl@extreme.chem.rpi.edu Date: Thu, 29 Feb 1996 07:23:43 -0600 (CST) A brief reminder: +---------------------------------------------------------------+ | ----THIRD UNAM-CRAY SUPERCOMPUTING CONFERENCE---- | | ----------------------------------------- | | C O M P U T A T I O N A L C H E M I S T R Y | | A symposium to be held in Mexico City | | from August 13th through the 16th, 1996 | +---------------------------------------------------------------+ THE ABSTRACT DEADLINE IS MARCH 3, 1996. Besides details on invited speakers, topics, etc., there is a registration form available via the WWW at http://www.super.unam.mx/super/symposium/simposio96.html I will be happy to e-mail the announcement and registration form to those for whom WWW access is awkward or nonexistent, or who just want a plain ASCII copy. Saludos, Gerardo -- Dr. Gerardo Cisneros |Cray Research de M'exico, S.A. de C.V. Technical Services Mgr. |Tuxpan 10-403, Col. Roma Sur gerardo@cray.com |06760 M'exico, D.F. (+52+5)622-8584 |MEXICO