From chemistry-request@ccl.net Mon Feb 3 01:06:54 1992 Date: Sun, 2 Feb 92 23:30:15 CST From: shepard@dirac.tcg.anl.gov (Ron Shepard) To: chemistry@ccl.net Subject: Survey for a COLUMBUS Users' Group Meeting Status: R To All COLUMBUS Program System Users: The COLUMBUS programmers are considering organizing a conference this fall (perhaps to evolve into a COLUMBUS Users' Group), and we would like to assess the interest among COLUMBUS users in such an event. We are currently considering a 1- or 2-day meeting, starting on Oct. 9 or 10, 1992 (the weekend before Columbus Day), at the OSU campus in Columbus, Ohio. If you are interested, the answers to any or all of the following questions would be helpful to us. This is not a registration form, but rather the information will be used to help us plan the meeting. ============================================================================== (1) Do you believe such a meeting should be held? Why? (2) How many from your research group might attend such a meeting? (3) What is the probability that you would attend? (slight, probable, certain) (4) Does your ability to attend depend on the availability of funds for partial reimbursement of travel expenses? (If so, please give details.) (5) Would you or members of your group be interested in giving a talk or poster of your work involving the COLUMBUS Program System? If so, how many of each type: Application 1/2 Hr. Talk:____ 1 Hr. Talk:____ Poster:____ Method/Programming 1/2 Hr. Talk:____ 1 Hr. Talk:____ Poster:____ (6) Would you be interested in contributing to the published proceedings? (7) Additional Comments: ---------------------------------------- Please forward and/or post this survey freely. Return to: Ron Shepard Email: shepard@tcg.anl.gov Theoretical Chemistry Group FAX: 708-252-4470 Chemistry Division Argonne National Laboratory Argonne, IL 60439 ============================================================================== From chemistry-request@ccl.net Mon Feb 3 08:21:12 1992 Date: Mon, 3 Feb 1992 13:14:15 UTC+0100 From: Daniel Glossman Subject: Enrico Clementi's address To: chemistry@ccl.net Status: R Hi netters!! Is there anybody there who knows Enrico Clementi's new postal address? If so, please answer to glossman@cpd.uva.es Thanks in advance Dr. Daniel Glossman From chemistry-request@ccl.net Mon Feb 3 14:52:58 1992 Date: Mon, 3 Feb 92 14:14:26 EST From: balbes@osiris.rti.org (Lisa Balbes) To: CHEMISTRY@ccl.net Subject: Guide to Rational Drug Design, version 2.0 Status: R As promised, the second version of the guide to rational drug design is now available. Some more recent references have been added, as well as a section on 3D database searching, and some clarification of original sections. The total file is now 410 lines of plain ascii text. Becuase of the generosity of the list moderator (thanks again Jan), you can retreive it via anonymous ftp or email from osc (see below). Any questions should be directed to me, balbes@osiris.rti.org. Retreival Instructions: You can get it by anonymous ftp to www.ccl.net [128.146.36.48] ftp> cd pub/chemistry ftp> get drug.design.guide ftp> quit or you can get it through the OSCPOST interface. Send one line message: send drug.design.guide from chemistry to OSCPOST@ccl.net or OSCPOST@OHSTPY.bitnet %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% std disclaimer %% Lisa M. Balbes, Ph.D. phone: 919-541-6563 Research Triangle Institute, PO Box 12194 vmail: 919-541-6767, xt 6563 Research Triangle Park, NC 27709-2194 email: balbes@osiris.rti.org This came directly from a computer and should not be doubted or disbelieved. From chemistry-request@ccl.net Mon Feb 3 16:26:51 1992 Date: Mon, 3 Feb 92 14:56:37 CST From: shepard@dirac.tcg.anl.gov (Ron Shepard) To: chemistry@ccl.net Subject: NATO ASI Announcement Status: R This announcement is forwarded from Professor G. L. Malli, malli@sfu.ca, to whom inquiries should be directed. ********************************************************************* NATO ADVANCED STUDY INSTITUTE VANCOUVER, BRITISH COLUMBIA, CANADA Aug. 10 - 21, 1992 RELATIVISTIC AND ELECTRON CORRELATION EFFECTS IN MOLECULES AND SOLIDS DIRECTOR: G.L. MALLI, SIMON FRASER UNIVERSITY ORGANISING COMMITTEE: E.R. Davidson (USA), N.C. Handy (UK), G.L. Malli (Canada), A. Veillard (France) OBJECTIVE: The dissemination of currently available advanced theoretical and computational methodologies for treating relativistic and electron correlation effects in molecules and solids amongst the scientists of NATO countries. LECTURES: I. RELATIVISTIC AND ELECTRON CORRELATION EFFECTS IN MOLECULES AND SOLIDS K.G. Dyall (USA), W.C. Ermler (USA), B. Hess (Germany), G.L. Malli (Canada), W.C. Nieuwpoort (Netherlands) II. STATE-OF-THE-ART TREATMENT OF ELECTRON CORRELATION IN MOLECULES E.R. Davidson (USA), M. Dupuis (USA), N.C. Handy (UK), H.A. Jensen (Denmark), R.P. Messmer (USA), J. Paldus (Canada) R. Shepard (USA) III. ELECTRON CORRELATION IN MOLECULES AND CLUSTERS OF TRANSITION METALS D.R. Salahub (Canada), A. Veillard (France) IV. UNITARY GROUP AND COUPLED-CLUSTER METHODS FOR ELECTRON CORRELATION IN MOLECULES J. Paldus (Canada), R. Shepard (USA) LANGUAGE: The official language of the Institute will be ENGLISH. PARTICIPANTS: The Institute is open to post-doctoral fellows, University faculty members, government or industrial researchers, etc. Attendance is limited mostly to scientists who are citizens and/or permanent residents of NATO countries. A few scientists from Central and Eastern European countries may be permitted to attend through special permission from NATO. RESEARCH POSTERS: Participants are encouraged to present posters on their own research relevant to the theme of the NATO ASI. ROOM AND BOARD: Lodging will be at the Gage Residence (Dormitory) Complex of the University of British Columbia, Vancouver, B.C., Canada. Room and Board cost is about Can. $60 per night. FINANCIAL SUPPORT: Limited financial support will be available on a competitive basis to defray part of the expences of participants from NATO countries and a few scientists from Central and Eastern European countries. APPLICATION: Those wishing to attend should send a letter to the following latest by March 15, 1992, providing a brief resume including place and date of birth, citizenship, VISA status, list of recent publications, and abstract of a poster, relevant to the theme of this NATO ASI. Please reply preferably via FAX or E-mail. Prof. G.L. Malli, Director, NATO ASI 910849, Department of Chemistry Simon Fraser University, Burnaby, British Columbia, CANADA V5A 1S6. Telephone: 1-(604)-291-3530; Telex: 043-54614, FAX: 1-(604)-291-3765 E-mail: malli@sfu.ca malli@sfuvax.bitnet From chemistry-request@ccl.net Mon Feb 3 19:36:02 1992 Date: Mon, 3 Feb 92 16:08:22 PST From: jyl@eng.sun.com (Jacob Levy) To: chemistry@ccl.net Subject: Contact with Dr. E.J. Corey's lab at Harvard Status: R Dear Netters: I know this is not strictly computational chemistry, but perhaps some of you could help nonetheless: Could someone send me an email address for contact with Prof. Corey's LHASA group at Harvard? Please reply to me as I am not a subscriber of the list. Thanks, --JYL