From WATHELET@BNANDP11.bitnet Mon Nov 9 09:28:32 1992 Date: Mon, 09 Nov 92 09:27:32 +01 From: Valerie Wathelet Subject: Music To: chemistry@ccl.net Hi, Does anyone have any information on the MUSIC Method and more precisely as used in the determination of the vibration frequencies in molecules. Recently, I have read a paper of Noid and Pfeffer : "Short Time Molecular Dynam ics Simulations : Stressed Polyethylene Results" in J. of Polymer Science B 27, p2321 (1989), where this method was used. If you have some information about the use of MUSIC in Quantum Chemistry, you c an send it to me. Thanks in advance, Valerie Wathelet Laboratoire de Chimie Theorique Appliquee 61 rue de Bruxelles B-5000 Namur Belgium Wathelet@scf.fundp.ac.be Acknowledge-To: From SOPHIEC@FRMOP11.bitnet Mon Nov 9 15:28:01 1992 Date: Mon, 09 Nov 92 15:28:01 GMT From: Sophie Creuzet C3NI IBM/CNUSC Subject: cambridge database To: chemistry list Does anyone knows if there's an ftp anonymous acces to the Cambridge database? Thanks in advance. Sophie Creuzet From MARYJO@northeastern.edu Mon Nov 9 09:04:00 1992 Date: Mon, 9 Nov 1992 14:04 EST From: MARYJO@northeastern.edu Subject: ATTN: former students of Mark Ratner To: chemistry@ccl.net [Have tried to contact evrybody, but in case anybody was missed] Attention former students of Mark Ratner: There will be a lunch and afternoon poster session in Evanston on SUNDAY DECEMBER 13, 1992 in celebration of MArk Ratner's 50th birthday. Please contact me for more details. Mary Jo Ondrechen (617) 437-2822 or e-mail. From RVGLOSS@arcriba.bitnet Mon Nov 9 15:17:09 1992 Date: Mon, 9 Nov 1992 15:37 ARG From: Daniel Glossman Subject: QSAR and Quantum Pharmacology To: chemistry Dear netters, does anybody know about how (and where) to find computers programs for doing quantum pharmacology, quantum pharmacochemistry and QSAR (quantitative structure-activity relationships)? I would also be pleased receiving some information about introductory bibliography related to the mentioned subjects. Thanks in advance Daniel Glossman Programa QUINOR - UNLP ========================================================================== Dr. M. Daniel Glossman -------------------------------------------------------------------------- Programa QUINOR E-mail : rvgloss@arcriba.bitnet Facultad de Ciencias Exactas rvgloss@criba.edu.ar Universidad Nacional de La Plata daniel@quinor.edu.ar Casilla de Correo 962 Telephone: 54 - 21 - 214037 1900 La Plata FAX: 54 - 21 - 254533 Republica Argentina ========================================================================== id AA26584; Mon, 9 Nov 1992 15:18:17 -0500 From: rs0thp@RohmHaas.Com (Dr. Tom Pierce) Message-Id: <9211092018.AA26584@monte.br.RohmHaas.Com> Subject: Spring 1993 Computers and Chemistry ACS Symposia - Abstracts! To: chemistry@ccl.net Date: Mon, 9 Nov 1992 15:18:17 +22305823 (EST) Cc: rossi@watson.ibm.com X-Mailer: ELM [version 2.4 PL0] Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Length: 2443 Dear Potential Presenters! Please review the following symposia and consider *quickly* sending in Abstracts to the listed Session Chairs. In Denver the ACS is honoring Prof. Clark Still with the Computers and Chemistry Award sponsored by Digital Equipment Corp. Consequently there will be an Award Symposium. I hope to see you in Denver. PS Submit a poster, since they often offer more interaction with the presenter! ------------------------------------------------- Spring Symposia of the Computers and Chemistry Division of the ACS Four copies of 150 Word Abstract (Original on ACS Abstract Form) are due on dates given below to respective chairpersons. Denver, March 28-April 2, 1993 Program Chair: Dr. Philip D. Kutzenco, American Cyanamid Co., 1937 West Main Street, P.O. Box 60, Stamford, CT 06904-0060; Tel: 203-321-2377; Fax: 203-321-2298. Abstracts are due December 1, 1992. ACS Computers and Chemistry Award Symposium in Honor of Professor W. Clark Still, Columbia University; Tuesday am - Dr. A. R. Rossi, IBM Research Division, T. J. Watson Research Center, Yorktown Heights, NY 10598; Tel: 914-945-3834; Fax: 914-945-2141; rossi@watson.ibm.com. Solvation Models; Tuesday pm/Wednesday am - Dr. Allen Richon, Molecular Solutions, Inc., P.O. Box 32101, St. Louis, MO 63132; Tel: 314-567-3927; Fax: 314-997-6760. Computational Analytical Chemistry; Monday am/pm - Professor Gary Small, Dept. of Chemistry, Ohio University, Athens, Ohio 45701-2979; Tel: 614-593-1748; Fax: 614-593-0148; small@helios.phy.ohiou.edu; Dr. Markk Schure, Rohm and Haas, 727 Norristown Rd., Spring House, PA 19477; Tel: 215-641-7854; rs0ums@rohmhaas.com. Co-Sponsored by Analytical Chemistry Division. NMR Calculation and Simulation; Sunday?, Wednesday am/pm - Dr. Angela M. Gronenborn, Laboratory of Chemical Physics, Building 2, Rm 123, N.I.H., Bethesda, MD 20892; 301-496-0782; gronenbo@nihklmb; gronenbo@vger.middk.mih.gov. General Computational Chemistry-Poster; Monday eve (SciMix)/Tuesday eve and Oral Sessions; Thursday am/pm - Dr. Philip D. Kutzenco, American Cyanamid Co., 1937 West Main Street, P.O. Box 60, Stamford, CT 06904-0060; Tel: 203-321-2377; Fax: 203-321-2298. -- Sincerely, Thomas Pierce, thpierce@rohmhaas.com or rs0thp@rohvm1 Official Disclaimer:"The opinions expressed are those of the writer and not the Rohm and Haas Company." From rs0thp@RohmHaas.Com Tue Nov 10 49:47:20 1992 From: rs0thp@RohmHaas.Com (Dr. Tom Pierce) Subject: Spring 1993 Computers and Chemistry ACS Symposia - Abstracts!(fixed) To: chemistry@ccl.net Date: Mon, 9 Nov 1992 15:24:20 +22305823 (EST) Dear Potential Presenters! (I resent this since I had an address wrong in the first copy - Sorry) Please review the following symposia and consider *quickly* sending in Abstracts to the listed Session Chairs. In Denver the ACS is honoring Prof. Clark Still with the Computers and Chemistry Award sponsored by Digital Equipment Corp. Consequently there will be an Award Symposium. I hope to see you in Denver. PS Submit a poster, since they often offer more interaction with the presenter! ------------------------------------------------- Spring Symposia of the Computers and Chemistry Division of the ACS Four copies of 150 Word Abstract (Original on ACS Abstract Form) are due on dates given below to respective chairpersons. Denver, March 28-April 2, 1993 Program Chair: Dr. Philip D. Kutzenco, American Cyanamid Co., 1937 West Main Street, P.O. Box 60, Stamford, CT 06904-0060; Tel: 203-321-2377; Fax: 203-321-2298. Abstracts are due December 1, 1992. ACS Computers and Chemistry Award Symposium in Honor of Professor W. Clark Still, Columbia University; Tuesday am - Dr. A. R. Rossi, IBM Research Division, T. J. Watson Research Center, Yorktown Heights, NY 10598; Tel: 914-945-3834; Fax: 914-945-2141; rossi@watson.ibm.com. Solvation Models; Tuesday pm/Wednesday am - Dr. Allen Richon, Molecular Solutions, Inc., 412 Carolina Bvd. Isle of Palms, SC 29451; Tel: 803-886-8775; Fax: 803-886-5924. Computational Analytical Chemistry; Monday am/pm - Professor Gary Small, Dept. of Chemistry, Ohio University, Athens, Ohio 45701-2979; Tel: 614-593-1748; Fax: 614-593-0148; small@helios.phy.ohiou.edu; Dr. Markk Schure, Rohm and Haas, 727 Norristown Rd., Spring House, PA 19477; Tel: 215-641-7854; rs0ums@rohmhaas.com. Co-Sponsored by Analytical Chemistry Division. NMR Calculation and Simulation; Sunday?, Wednesday am/pm - Dr. Angela M. Gronenborn, Laboratory of Chemical Physics, Building 2, Rm 123, N.I.H., Bethesda, MD 20892; 301-496-0782; gronenbo@nihklmb; gronenbo@vger.middk.mih.gov. General Computational Chemistry-Poster; Monday eve (SciMix)/Tuesday eve and Oral Sessions; Thursday am/pm - Dr. Philip D. Kutzenco, American Cyanamid Co., 1937 West Main Street, P.O. Box 60, Stamford, CT 06904-0060; Tel: 203-321-2377; Fax: 203-321-2298. -- Sincerely, Thomas Pierce, thpierce@rohmhaas.com or rs0thp@rohvm1 Official Disclaimer:"The opinions expressed are those of the writer and not the Rohm and Haas Company."