From cccc@qc.chem.ualberta.ca Fri Mar 21 13:30:53 1997 Received: from quartz.ucs.ualberta.ca for cccc@qc.chem.ualberta.ca by www.ccl.net (8.8.3/950822.1) id NAA00033; Fri, 21 Mar 1997 13:30:49 -0500 (EST) Received: from qc.chem.ualberta.ca (qc.chem.ualberta.ca [129.128.2.12]) by quartz.ucs.ualberta.ca (8.8.5/8.8.5) with ESMTP id LAA31320 for ; Fri, 21 Mar 1997 11:30:51 -0700 Received: (from cccc@localhost) by qc.chem.ualberta.ca (8.6.12/8.6.10) id LAA13513 for CHEMISTRY@www.ccl.net; Fri, 21 Mar 1997 11:28:06 -0700 Date: Fri, 21 Mar 1997 11:28:06 -0700 From: 3rd Canadian Computational Chemistry Conference Message-Id: <199703211828.LAA13513@qc.chem.ualberta.ca> To: CHEMISTRY@www.ccl.net Subject: 3rd Canadian Computational Chemistry Conference X-Sun-Charset: US-ASCII 3rd Canadian Computational Chemistry Conference 1997 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Second Announcement The 3rd Canadian Computational Chemistry Conference will take place July 19 - 23, 1997 in Edmonton, Alberta. Detailed information is available from the web site of the conference: http://www.chem.ualberta.ca/~cccc Schedule of the Conference ========================== Saturday Sunday Monday Tuesday Wednesday July 19 July 20 July 21 July 22 July 23 8:30 Opening Remarks 8:40 Lecture Lecture Lecture Lecture 9:20 Lecture Lecture Lecture Lecture 10:00 Break Break Break Break 10:20 Lecture Lecture Lecture Lecture 11:00 Lecture Lecture Lecture Lecture 11:40 Lunch Lunch Lunch Closing Remarks 1:20 Lecture Lecture Lecture 2:00 Registr. Lecture Lecture Lecture desk opens 2:40 Break Break Break 3:20 Lecture Lecture Lecture 4:00 Lecture Lecture Lecture 4:40 Break Break Break 6:00 Opening Posters A/ Posters B/ Social Social Social Deadlines ========= 1. Conference Registration (reduced conference fee) May 15, 1997 2. Conference Registration (regular conference fee) June 30, 1997 3. Submission of Abstracts June 30, 1997 Invited Lecturers ================= Preliminary list of invited speakers includes: Christopher Bayly, Merck Frosst, Canada Russell J. Boyd, Dalhousie University, Canada David A. Case, Scripps Research Institute, U.S.A. Anne M. Chaka, The Lubrizol Corporation, U.S.A. Thomas R. Cundari, The University of Memphis, U.S.A. Ernest R. Davidson, Indiana University, U.S.A. Geerd H.F. Diercksen, Max-Planck-Institut fuer Astrophysik, Germany Michel Dupuis, Pacific Northwest National Laboratory, U.S.A. Kimihiko Hirao, University of Tokyo, Japan Ray Kapral, University of Toronto, Canada Jacek Karwowski, N. Copernicus University, Poland Peter Margl, University of Calgary, Canada Gren N. Patey, University of British Columbia, Canada Julia Rice, IBM Almaden Research Center, U.S.A. Andrzej J. Sadlej, University of Lund, Sweden H.F. Schaefer III, University of Georgia, U.S.A. Peter Taylor, San Diego Supercomputer Center, U.S.A. Thanh N. Truong, University of Utah, U.S.A. Donald F. Weaver, Queen's University, Canada Michael Anthony Whitehead, McGill University, Canada Michael C. Zerner, University of Florida, U.S.A. Conference Fees =============== Before May 15 After May 15 Regular Participants $200 $220 Graduate Students $150 $170 Conference fee covers the costs of the Opening Social, ten refreshment breaks, munchies and beverage tickets during Poster Sessions, as well as the costs of running the Conference (rental of the Timms Centre, printing of Conference materials, etc). Please note that the Conference fee includes 7% GST. All costs are in Canadian dollars. Please make your cheques or money orders payable to: 3rd CCCC and mail them to 3rd Canadian Computational Chemistry Conference c/o Dr. M. Klobukowski Department of Chemistry University of Alberta Edmonton, AB, Canada T6G 2G2 Accommodations ============== All hotel reservations must be done by participants. There are several hotels with easy access to the Conference site: (A) Lister Hall Cost is $26.88 per day for single room, $35.84 for twin room (all taxes included). Contact: The University of Alberta Guest Services 44 Lister Hall Edmonton, AB T6G 2H6 Phone: 403-492-4281 Fax: 403-492-7032 (B) Campus Tower Suite Hotel Cost is $65 per day (plus tax). The number of suites is limited. Contact: Campus Tower Suite Hotel 11145 - 87 Avenue Edmonton, AB T6G 0Y1 Phone: 403-439-6060 Fax: 403-433-4410 Registration ============ The conference is open for registration. You may register by WWW at the web site http://www.chem.ualberta.ca/~cccc. Alternatively, you may send us (or fax) the text version of the Registration Form, available from the Web site of the Conference (http://www.chem.ualberta.ca/~cccc). Correspondence regarding the Conference should be sent to: 3rd Canadian Computational Chemistry Conference c/o Dr. M. Klobukowski Department of Chemistry University of Alberta Edmonton, AB, Canada T6G 2G2 FAX: 403-492-8231 If you have any questions, you may reach us at: cccc@qc.chem.ualberta.ca or EDGECOMK@QUCDN.QUEENSU.CA We are looking forward to seeing you at the 3rd CCCC. For the Organizing Committee of the 3rd CCCC, Mariusz Klobukowski and Ken Edgecombe From ccl@www.ccl.net Fri Mar 21 14:30:52 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id NAA00147; Fri, 21 Mar 1997 13:47:59 -0500 (EST) Received: from rmi.net for factnet@rmi.net by bedrock.ccl.net (8.8.3/950822.1) id NAA29009; Fri, 21 Mar 1997 13:47:58 -0500 (EST) Received: from monster ([166.93.52.4]) by rmi.net (8.8.5/8.8.5) with SMTP id LAA17693; Fri, 21 Mar 1997 11:37:43 -0700 (MST) Message-Id: <3.0.32.19970321113759.0092f3a0@rmii.com> X-Sender: factnet@rmii.com X-Mailer: Windows Eudora Pro Version 3.0 (32) Date: Fri, 21 Mar 1997 11:39:22 -0700 To: factnet@rmi.net From: FACTNet International Subject: Net censorship, access cost increase, and Intellectual Property alert! Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 8bit Net censorship, access cost increase, and Intellectual Property alert! Every netizen or organization that wants low cost net access, net free speech, and uncensored e-mail has a high stake in a court case soon to be decided in the litigation war involving Scientology, the Internet, and a nonprofit electronic library and historic archive called FactNet. An emergency Internet and legal issues briefing has been prepared for you and/or your organization at (www.factnet.org). Factnet’s Board of Directors urgently asks your help to promote both media coverage and a vigorous dialogue among netizens on the immediate and substantial threat this briefing discloses to the future of the Internet. To help understand the importance of this briefing to Internet costs, Internet slowdowns, Internet intellectual property and Internet free speech please find the following media quotes. "If the church's (Scientology’s) lawsuits prevail...future providers of bulletin boards and newsgroups on the World Wide Web, as well as the companies running such subscriber services as Prodigy, Compuserve, and America Online might be forced to monitor or restrict information simply because they fear being sued...If system operators are liable for the content of the postings, it will lead to censorship...It would change the whole idea of how the Internet develops -- it's that important." --Shari Steele, attorney for the Electronic Frontier Foundation, as quoted in "The Net: Copyright or 'Free Press'?" Newsday, 10/10/95 "Besides the technological curtailment of free speech, a skirmish like this one has the potential to completely disrupt the online operation not only of individual users, but also of entire networks overloaded by traffic their circuits were never designed to handle." --Colman Jones, "Freedom Flames Out on the 'Net: Who Launched the largest-ever Sabotage of the Internet?" www.now.com/issues/15/44/News/feature.html "Other [Internet] users have reported mysterious incidents: investigators visiting their neighbors, strangers attempting to get into their telephone records, e-mail sent to their sysadmins asking that their accounts be closed down. How did we get to this, in a free country?... "It turns out that a belief in free speech and an interest in Scientology may involve you in the bitterest battle fought across the Internet to date. A fight that has burst the banks of the Net and into the real world of police,lawyers, and armed search and seizure. Ultimately, however, the drama doesn't matter: the real issues here are the boundaries of free speech and the future of copyright and intellectual property in the face of a technology that can scatter copies across the world in seconds... "Whatever the motives, when computers are seized because they contain allegedly purloined intellectual property, messages are intercepted as they traverse the network, or the security of anonymous remailers is pierced by police, the days of the Internet as a cozy, private, intellectual cocktail party are over. .." --Wendy M. Grossman, "alt.scientology.war," Wired, 8/95 Lest anyone doubt Scientology's intentions, an article in the most recent issue of an internal Scientology magazine called "High Winds" proudly trumpets "groundbreaking lawsuits against both copyright infringers and the computer service companies that served as electronic conduits" for them. It goes on to predict "landmark decisions" in which, "for the first time, Internet access providers will be held responsible for any copyright infringements posted through their facilities." "The Internet is an information age tool that empowers individuals and reduces the need for a large, authoritarian government. It empowers the poor with an unregulated world of entrepreneurial opportunity... Information and the new frontier could create a more fair, peaceful society The free flow of information is central to America's foundation, and '90s technology only enhances it. Unfortunately, it's all big threat to those in power who rely on the control of information to secure their lofty positions. No matter what they call it, free speech is the issue." --Wayne Langsen, "Raiding Free Speech," Boulder Weekly editorial. 8/24/95 PLEASE help protect our mutual Internet freedoms by appropriately forwarding this briefing to your personal or organizational network of individuals, newsgroups, listservs, net media, and net watch organizations where it hasn’t appeared yet. Your timely attention to this critical briefing is appreciated, The Directors of Factnet Boulder Colorado USA P.S. Factnet has been reconstructing its electronic files since they were sabotaged and returned to us by court order after the Scientology raid. Our original mailing lists consisted of individuals and organizations who had viewed materials or had an interest in Scientology’s Internet abuses and other human rights abuses. Because of the raid we are not fully certain that our reconstructed mailing lists contain what they originally contained or have been reassembled back into the proper lists. These reconstructed mailing lists are far to important to the battle for Internet free speech not to begin using again just because they were in Scientology's possession. If you have received this alert and you have not previously reviewed or been interested in any information on these issues let us know and we will immediately correct the situation. We ask your understanding if there has been an error or duplicate mailing. Try to imagine someone illegally seizing all of your computers and computer files then searching and altering and destroying parts of them. Finally you get it all back to you in boxes and pieces. That's what happened to Factnet. Over the last 12 months with minimal resources it has had to reconstruct 6 gigabits of its deliberately disordered returned libraries and files. From BRUCKSM@email.rosary.edu Fri Mar 21 15:30:52 1997 Received: from cedar.cic.net for BRUCKSM@email.rosary.edu by www.ccl.net (8.8.3/950822.1) id OAA00681; Fri, 21 Mar 1997 14:49:49 -0500 (EST) Received: from email.rosary.edu (email.rosary.edu [207.56.176.100]) by cedar.cic.net (8.8.5/8.6.9) with ESMTP id OAA08325 for ; Fri, 21 Mar 1997 14:49:52 -0500 (EST) Received: from EMAIL/SpoolDir by email.rosary.edu (Mercury 1.21); 21 Mar 97 13:53:44 CST Received: from SpoolDir by EMAIL (Mercury 1.21); 21 Mar 97 13:53:36 CST From: "MICHAEL J. BRUCKS" Organization: Rosary College, River Forest, IL To: chemistry@www.ccl.net Date: Fri, 21 Mar 1997 13:53:30 CST Subject: unsubscribe Priority: normal X-mailer: Pegasus Mail for Windows (v2.0-WB1) Message-ID: <272212D1531@email.rosary.edu> unsubscribe From uucp@msi.com Fri Mar 21 15:30:57 1997 Received: from bioc1.msi.com for uucp@msi.com by www.ccl.net (8.8.3/950822.1) id OAA00572; Fri, 21 Mar 1997 14:34:38 -0500 (EST) Received: by bioc1.msi.com (5.64/0.0) id AA18676; Fri, 21 Mar 97 11:34:09 -0800 Received: from news.msi.com(146.202.0.224) by bioc1.msi.com via smap (V2.0) id xma018669; Fri, 21 Mar 97 11:33:55 -0800 Received: by news.biosym.com (4.1/SMI-4.1) id AA20788; Fri, 21 Mar 97 11:32:42 PST Newsgroups: msi.comp-chem-list Path: uucp From: Bob Funchess Subject: Re: ESR simulation software X-Nntp-Posting-Host: iris76 Content-Type: text/plain; charset=us-ascii To: Dale Andrew Braden Message-Id: <3332E29F.41C6@MolecularSimulationsInc.com> Sender: uucp@msi.com Content-Transfer-Encoding: 7bit Organization: Molecular Simulations Inc. References: Mime-Version: 1.0 Date: Fri, 21 Mar 1997 19:33:51 GMT X-Mailer: Mozilla 3.0Gold (X11; I; IRIX 6.2 IP22) Dale Andrew Braden wrote: > > Dear CCL, > > Does anybody know of any software (for PC, Mac, or SGI) that would > allow me to simulate ESR spectra of systems in which both the g and > A tensors are anisotropic? Two caveats: This was about 8 years ago, and I was doing deuterium NMR instead of ESR, so I'm not absolutely positive about the A tensor. I believe that FORTRAN source code for doing this is distributed with one of the Advances in Magnetic Resonance books... volume 8 or 9, I think. It used to be on a 5.25" high density MS-DOS diskette that came with the book. The software is from Jack Freed's group at Cornell. (The actual reference is Schneider, D.J. and Freed, J.H. in _Spin Labeling: Theory and Applications_, vol. 8; Berliner, L., Ed.; Academic Press 1989; Chapter 1.) I seem to vaguely remember having to rewrite some of the sections which used double precision complex algebra routines to get it to work on either the SGI or PC (or maybe both) because the FORTRAN compiler we had didn't support that construct at the time. This may or may not still be a problem, but it's not an insurmountable one; you just have to keep track of the real and imaginary components yourself. Regards, Bob Funchess -- Dr. Robert B. Funchess bobf@msi.com Senior Scientist, Scientific Support Voice (619) 458-9990 x738 Molecular Simulations Inc. FAX (619) 458-0431 9685 Scranton Road San Diego, CA 92121-3752 http://www.msi.com/ From ccl@www.ccl.net Fri Mar 21 18:30:54 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id RAA01989; Fri, 21 Mar 1997 17:54:35 -0500 (EST) Received: from cbdcom-emh1.apgea.army.mil for grfamini@CBDCOM-EMH1.APGEA.ARMY.MIL by bedrock.ccl.net (8.8.3/950822.1) id RAA06790; Fri, 21 Mar 1997 17:54:35 -0500 (EST) Received: by cbdcom-emh1.apgea.army.mil with SMTP (Microsoft Exchange Server Internet Mail Connector Version 4.0.994.63) id <01BC3620.C848D140@cbdcom-emh1.apgea.army.mil>; Fri, 21 Mar 1997 17:53:28 -0500 Message-ID: From: "Famini, George R." To: "'chemistry@ccl.net'" Subject: LV ACS Meeting Date: Fri, 21 Mar 1997 17:54:55 -0500 X-Mailer: Microsoft Exchange Server Internet Mail Connector Version 4.0.994.63 Encoding: 17 TEXT A reminder to those of you planning to submit abstracts for the LV ACS meeting: The Division of Computers in Chemistry deadline for abstract submission is 18 April 1997. Because of the short lead time between this date and my due date of the final program to ACS, I cannot allow this date to slip by too long. So please, be kind to your Program Chair, and submit papers on time (or even early, yes, I have one abstract already). A list of symposia for LV can be found at http://www.hackberry.niu.edu/COMP George Famini COMP Program Chair