From chemistry-request@ccl.net Thu Jan 16 02:50:37 1992 Date: 16 Jan 92 08:39:40 EDT From: Subject: Meeting announcment To: chemistry@ccl.net Status: R E. M. EVLETH Dynamique des Interactions Moleculaires Universite Pierre et Marie Curie 4 Place Jussieu, Tour 22, Paris 75005 (1) 44 27 42 08 UDIM018 at FRORS31 Second and last annoucement Comment-the following is an announcement for an international school of theoretical chemistry that Professor Luis Montero has requested me to list. *********************************************************************** I should add that US citizens wishing to attend this school may have difficulty securing the right to do so through the US Department of State. Check first. *********************************************************************** UNIVERSITAD DE LA HAVANA INTERNATIONAL SCHOOL OF THEORETICAL CHEMISTRY IN PINAR DEL RIO July 6th to 17th 1992 Vinales, Pinar del Rio Cuba Sponsored by the Swedish Agency for Research Cooperation with Developing Countries (SAREC), Stockholm, Sweden and the Instituto Superior Pedagogico de Pinar del Rio, Pinar del Rio, Cuba. The International School of Theoretical Chemistry in Pinar del Rio is directed to postgraduate students in theoretical chemistry as well as active experimental chemists, mainly in Third World countries, who desire to improve their basic knowledge of theoretical methods in chemistry and attain ability for working with such methods. Practical emphasis will be on the used of such knowledge to be applied in different chemical problems by means of low cost computational devices as personal computers. Teaching Staff: Jan Almhof(Minneapolis), Raul Alvarez-Idaboy (La Habana), Roald Hoffmann(Ithaca), Sten Lunell (Uppsala), Luis Montero (La Habana), Orlando Tapia (Uppsala) and Ulf Wahlgren (Stockholm). Subject Matters: Introductory concepts in quantum chemistry. Molecular orbital theory. Hartree-Fock SCF and Configuration Interaction. Ab initio and approximate methodes. Bonding in the solid state and absorbate-surface interactions. Ab initio methods in large systems. Reaction mechanisms. Molecular dynamics in biomolecules. Solvent Effects. Language: Lectures will be given in English. Excercises can be conducted either English or Spanish. Fee: The total fee will be US $600 (or CU$ 455.00 for residents in Cuba). It covers all essential expenses, including lectures and learning materials, transportation between Havana and Vinales, Lodging in double rooms and board, welcome cocktail, reception, and Langostata en Cayo Levisa, an excursion to the beach in a small Cuba key near to the main island, with demonstration of lobster fishing and meals on Saturday July 11th, 1992. contact before January 15, 1992 INTERNATIONAL SCHOOL OF THEORETICAL CHEMISTRY Lab. de Quimica Computacional y Teorica Facultat de Quimica Universitad de la Habana Habana 10400, CUBA Telf. 537-79-4734, 537-79-6153, 537-70-3922, Telex 051-2210 dictuh cu or 051-1277 dictuh cu FAX 537-7-3231 or 537-32-2757 Some added details: The accomodations will be at the Motel La Ermita in the town (swimming pool included). There are also a limited number of Fellowships for third world students. The site of the school is in the most western province of Cuba in the center of a valley having a rich vegetation surrounded by shape carsic mountains full of caves and underground rivers, 250 km west of Havana. July air temperatures, in the shade, are in the 24-33 degree (C) region. From chemistry-request@ccl.net Thu Jan 16 07:58:30 1992 From: Ellen R. Laird Subject: Re: computer-assisted synthesis (fwd) To: chemistry@ccl.net Date: Thu, 16 Jan 92 7:37:24 EST Status: R Forwarded message: > From chemistry-request@ccl.net Wed Jan 15 21:24:34 1992 > From: Dongchul Lim > Message-Id: <9201160220.AA29385@rani.chem.yale.edu> > Subject: Re: computer-assisted synthesis > To: chemistry@ccl.net (Computational Chemistry) > Date: Wed, 15 Jan 92 21:20:19 EST > In-Reply-To: <9201160218.26891@stan.xx.swin.OZ.AU>; from "Margaret Wong" at Jan 16, 92 12:18 pm > X-Mailer: ELM [version 2.3 PL11] > Sender: chemistry-request@ccl.net > Errors-To: owner-chemistry@ccl.net > Precedence: bulk > > Margaret Wong writes: > > Dear Chemists > > > > Are there any programs available which would be useful > > in the teaching of synthesis which would run on a PC > > or an IRIS or other unix based system. The class > > is at a graduate level (4th year of studies). > > Unfortunately the major factor on whether > > we can get a program illustrating computer-assisted > > synthesis is price. Our dept. ran > > into the red last year (1991) so we have real finacial > > restrictions put on yet again. Dongchul Lim responds: > > Check out CAMEO (Computer-Assisted Mechanistic Evaluation of > Organic Reactions) from Prof. William L. Jorgensen group. > CAMEO is an interactive programs which predicts the products > of organic reactions given starting materials and conditions. > Newer versions of CAMEO run only on VAX/VMS but some older > versions work on other platforms also. The academic price is > not too high, I guess. > That last statement should be reversed . . . Pre 1990 versions of CAMEO are VMS only; all releases now include a port to UNIX operating systems. One of the 41xx/4010/4014 class of emulators is required. Ellen Laird ( ellen@doctor.chem.yale.edu ) From chemistry-request@ccl.net Thu Jan 16 09:22:25 1992 Date: Thu, 16 Jan 92 14:02:58 GMT From: jpj@lotus.medicine.rochester.edu (Jeffrey P. Jones) To: chemistry@ccl.net Subject: Chin Wee-Shong, address Status: R Chin Wee-Shong, I need your E-mail address to respond to your question. ############################################################################## Jeffrey P. Jones U. of Rochester Department of Pharmacology 601 Elmwood Ave. Rochester, NY 14642 internet jpj@lotus.medicine.rochester.edu %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% From chemistry-request@ccl.net Thu Jan 16 13:21:48 1992 Date: Thu, 16 Jan 92 13:12-0500 From: SMITHVH@QUCDN.QueensU.CA To: chemistry@ccl.net Subject: Gordon Research and Other Conferences Status: R Subject: Gordon Research and Other Conferences In response to Lam Yulin's request, here is a list for North America during the summer of 1992. 1.GRC on Computational Chemistry/29.6-3.7.92 Contact: John McKelvey (McKelvey@Kodak.com) 2.GRC On Electron Distributions and Chemical Bonding/19-24.7.92 Contact: George Detitta (CHEGDT@UBVMS) 3. 11th Canadian Symposium on Theoretical Chemistry/2-7.8.92 Contact: Dennis Salahub (SALAHUB@ERE.UMONTREAL.CA) Vedene Smith From djh Thu Jan 16 17:21:08 1992 Date: Thu, 16 Jan 1992 17:04:43 -0500 From: djh@ccl.net To: chemistry@ccl.net Subject: Annotated PDB update Status: R Laura Walsh has been kind enough to provide an update of the annotated PDB file list. It is available via anonymous ftp on www.ccl.net as /pub/chemistry/pdbdoc/pdb_file_list. Dave Heisterberg