From albeiro@chem.cmu.edu Thu Feb 15 11:14:43 1996 Received: from chopin.chem.cmu.edu for albeiro@chem.cmu.edu by www.ccl.net (8.6.10/950822.1) id LAA22849; Thu, 15 Feb 1996 11:14:41 -0500 Received: from polaron.chem.cmu.edu (POLARON.CHEM.CMU.EDU [128.2.43.16]) by chopin.chem.cmu.edu (8.6.4/8.6.4) with ESMTP id LAA29460; Thu, 15 Feb 1996 11:14:30 -0500 From: Albeiro Alonso Restrepo Cossio Received: from localhost (localhost [127.0.0.1]) by polaron.chem.cmu.edu (8.6.4/8.6.4) with SMTP id LAA05004; Thu, 15 Feb 1996 11:14:30 -0500 Message-Id: <199602151614.LAA05004@polaron.chem.cmu.edu> X-Authentication-Warning: polaron.chem.cmu.edu: Host localhost didn't use HELO protocol To: chemistry@www.ccl.net cc: albeiro@chopin.chem.cmu.edu Subject: Trivial question Date: Thu, 15 Feb 96 11:14:30 -0500 X-Mts: smtp Status: RO Content-Length: 322 Dear CCL subscribers, Does someone in the list have information about the bigest system succesfully optimized by any ab initio methodology and about its reliability? I would like to know also the same ansewrs about water clusters optimized with simulated annealing. Thanks for your kindly help. Albeiro Restrepo. From polowin@hyper.hyper.com Thu Feb 15 10:33:12 1996 Received: from www.hyper.com for polowin@hyper.hyper.com by www.ccl.net (8.6.10/950822.1) id KAA22001; Thu, 15 Feb 1996 10:33:06 -0500 Received: from hyper.hyper.com (hyper.hyper.com [204.50.97.9]) by www.hyper.com (8.6.12/8.6.12) with SMTP id KAA11329 for <@www.hyper.com:chemistry@www.ccl.net>; Thu, 15 Feb 1996 10:44:08 -0500 Received: by hyper.hyper.com (920330.SGI/920502.SGI) for @www.hyper.com:chemistry@www.ccl.net id AA21638; Thu, 15 Feb 96 10:44:06 -0500 Date: Thu, 15 Feb 96 10:44:06 -0500 From: polowin@hyper.hyper.com (Joel Polowin) Message-Id: <9602151544.AA21638@hyper.hyper.com> To: chemistry@www.ccl.net Subject: Re: stereoscopic glasses Status: RO Content-Length: 1291 > From: "tamasgunda@tigris.klte.hu" > Date: Thu, 15 Feb 1996 10:15:46 +1 > > Does anyone know where the stereoscopic vision glasses may be obtained? > > The ones that are used to observe stereoscopic molecular figures. I was > > looking to purchase the cheaper plastic/cardboard ones. > > I bought from Aldrich. You can find two different types in the > Sigma-Aldrich catalog. The two types are a gadget with plastic lenses on a sort of stand, and a hand-held hinged device with mirrors. The former is appropriate for looking at printed documents which can be placed horizontally, the latter for things like stereo displays on a computer screens. The two devices are intended for working with stereo displays at different distances -- the former up close, the latter farther away -- and aren't really interchangeable. You should be careful to purchase the type which is appropriate for your needs. Joel ------------ Joel Polowin, Ph.D. Manager, Scientific Support Email to: polowin@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" to hyperchem-request@hyper.com WWW: http://www.hyper.com/ From nissen@highscreen.int.pan.wroc.pl Thu Feb 15 09:37:33 1996 Received: from highscreen.int.pan.wroc.pl for nissen@highscreen.int.pan.wroc.pl by www.ccl.net (8.6.10/950822.1) id JAA21583; Thu, 15 Feb 1996 09:37:21 -0500 Received: from [156.17.85.46] (b8p111.int.pan.wroc.pl [156.17.85.46]) by highscreen.int.pan.wroc.pl (8.6.11/8.6.9) with SMTP id PAA06990 for ; Thu, 15 Feb 1996 15:20:26 +0100 Date: Thu, 15 Feb 96 15:37:47 CST From: "Barbara Nissen-Sobocinska" Message-Id: <67889.nissen@highscreen.int.pan.wroc.pl> X-Minuet-Version: Minuet1.0_Beta_16 Reply-To: X-POPMail-Charset: English To: chemistry@www.ccl.net Subject: information on conference TSSL Status: RO Content-Length: 7028 Dear Subscribers of CCL list, I am asking you once more for help. Please pass this information to everyone who could be interested in this conference. Thank you, Barbara Nissen-Sobocinska PRELIMINARY Announcement 2nd INTERNATIONAL CONFERENCE on TUNABLE SOLID STATE LASERS September 1- 4, 1996 Wroclaw Poland organized by Institute for Low Temperature and Structure Research, Polish Academy of Sciences, Wroclaw, Institute of Telecommunication and Acoustics of the Wroclaw Technical University, Institute of Physics, Polish Academy of Sciences, Warsaw Advisory Board: G.Baldacchini Italy, T.Basiev Russia, R.Beigang Germany, G.Boulon (co-chairman) France, B.Chai USA, J.Fujimoto USA, G.Huber Germany, Z.Jankiewicz Poland,F.Kaczmarek Poland, N.Koroteev Russia, W.Krupke USA, A.Lempicki USA, M.Malinowski Poland, V.Mikhailov Belarus, R.Moncorge France, V.Osyko Russia, St. Payne USA, R. Reisfeld Israel, W. Ryba-Romanowski Poland, B. Sevastyanov Russia, A. Shkadarevich Belarus, I. Shcherbakov Russia G. Skripko Belarus, W. Strek Poland, A. Suchocki Poland, A. Wojtowicz Poland, A. Voitovich (co-chairman) Belarus, H.P. Weber Switzerland. Local Organizing Committee: K. Abramski, P. Deren, E. Lukowiak, M. Malinowski (co-chairman), K. Maruszewski, B. Nissen-Sobocinska(secretary), W. Ryba-Romanowski, W. Strek (chairman), A. Suchocki (co-chairman). 1. General Information The Organizing Committee has the pleasure to invite you to participate at the 2nd International Conference on Tunable Solid State Lasers (TSSL'96). The 1st TSSL was held in Minsk, Belarus, in 1994. The 2nd TSSL'96 is organized at the Institute for Low Temperature and Structure Research of Polish Academy of Sciences in Wroclaw, Poland, on September 1-4, 1996. 2. Sponsors The Polish State Committee of Scientific Research. 3. Scope The objective of the conference will be a presentation of the latest results concerning structural, spectroscopic and technological aspects of materials applicable for tunable solid state laser systems. In particular the topics of the conference cover: - spectroscopy of rare earth and transition metal ions contributing to the broad band luminescence; - spectroscopy of colour centres; - mechanisms of electronic relaxations: radiative and nonradiative decay, energy transfer, concen- tration quenching, up-conversion processes; - new perspective materials, crystals and glasses including sol-gel glasses; - optical parametric oscillators (OPO); - tunable solid lasers with ultrashort pulses; - applications of tunable solid state lasers. 4. Scientific Programme The three-day programme will consist of invited lectures and poster presentations. All lectures will be presented in English. For poster presentation there will be arranged poster boards of 100 x 100 cm size each. Invited lecturers: G.Baldacchini Italy, R.Beigang Germany, T. Basiev Russia, G. Boulon France, M. Buoncristiani USA, B.Chai USA, C.D.Flint UK, P. French UK, J.O. Fujimoto USA, U.M. Grassano Italy, N. Koroteev Russia, A. Kaminskii Russia, W.Krupke USA, M. Malinowski Poland,V. Mikhailov Belarus, R. Moncorge France, S.A.Payne USA, R. Reisfeld Israel, W. Ryba-Romanowski Poland, B. Sevastyanov Russia,W. Strek Poland, A. Suchocki Poland, A. Voitovich Belarus, H.P. Weber Switzerland 5. Proceedings All contributed papers will be published in the conference proceedings. The requirements for preparation of manuscripts will be provided in the second announcement. 6. Venue The conference will take a place at the Institute for Low Temperature and Structure Research, Polish Academy of Sciences in Wroclaw, 2 Okolna St. 7. Conference Fees The conference fees including conference materials, social events and lunches are: for active persons 200 USD, for accompanying persons 100 USD. The fee does not include hotel accomodation. It should be paid to the account: Institute for Low Temperature and Structure Research TSSL'96 in the bank WBK IV/O Wroclaw No. 359209-3551 8. Accommodation Hotel reservations can be made through the Conference Secretariat. Rooms in hotels of different price categories are available for the conference participants. 9. Futher information Futher information will be sent in the First Circular which may be obtained by writting to the conference secretary(prefarably before March 31). 10. Mailing Address Correspondence concerning the conference should be addressed to: Dr Barbara Nissen-Sobocinska The TSSL'96 Secretariat Institute for Low Temp. and Structure Res., Polish Academy of Sciences, P.O. Box 937, PL-50-950 Wroclaw, Poland. tel: 48-71-3435021 and 48-71-443206(-09) fax : 48-71-441029 e-mail: nissen@highscreen.int.pan.wroc.pl 11. Conference News The last day information on the 2nd TSSL will be available on World Wide Web server in Internet. Address: http://www.int.pan.wroc.pl/ 12. Exhibition An exhibition of instruments, equipment, laser materials, journals and books will be arranged in connection with the conference. It will be held at Institute for Low Temperature and Structure Research. If you or your company needs more information regarding exhibition at TSSL' 96, please contact the conference secretariat. 13. Related Conferences The timing of 2nd TSSL'96 is coordinated with the CLEO/Europe EQEC'96 conference to be held September 8-13,1996 in Hamburg, Germany. 14. Preliminary registration form(prefarably before 31 March 1996): Dr Barbara Nissen-Sobocinska TSSL'96 Secretariat INTiBS, Polish Academy of Sciences P.O. Box 937, PL-50-950 Wroclaw, Poland. 2nd International Conference on Tunable Solid State Lasers Title Family Name . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Given names . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Affiliation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Full address . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Country . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Telephone . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fax . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . E-mail . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . I wish to receive the First Circular I intend to attend the conference I wish to present a poster on: I will be probably accompanied by . . . person(s) From gl@coil.mdy.univie.ac.at Fri Feb 16 03:13:54 1996 Received: from coil.mdy.univie.ac.at for gl@coil.mdy.univie.ac.at by www.ccl.net (8.6.10/950822.1) id DAA03403; Fri, 16 Feb 1996 03:13:48 -0500 Received: by coil.mdy.univie.ac.at (940816.SGI.8.6.9/930416.SGI.AUTO) for chemistry@www.ccl.net id JAA02914; Fri, 16 Feb 1996 09:11:56 +0100 From: "Gerald Loeffler" Message-Id: <9602160911.ZM2912@coil.mdy.univie.ac.at> Date: Fri, 16 Feb 1996 09:11:53 +0100 X-Mailer: Z-Mail (3.2.0 26oct94 MediaMail) To: chemistry@www.ccl.net Subject: Java in (Bio)Chemistry Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Status: RO Content-Length: 1147 Hi! After becoming (a bit) familiar with Java (see http://java.sun.com), I wonder what activities exist to use it for computational (bio)chemistry?! Apart from being a great Programming Language in its own right, it seems to me that Java (in cooperation with a WWW-browser like HotJava) should have enormous impact on the whole issue of online chemical information (chemical MIME types, hyperactive molecules, ...), because it is now possible to publish information in any imaginable format - as long as you link a Java-Applet to the data that can deal with the format. Since Perl is used for biochemical problems as can be seen in the bioperl activity, it would be surprising to me, if there weren't some users out there who already exploit the rich features of Java for similar tasks! Eager to hearing from you, Gerald -- Gerald Loeffler PhD student in Theoretical Biochemistry EMail: Gerald.Loeffler@mdy.univie.ac.at Phone: +43 1 40480 612 Fax: +43 1 4028525 SMail: University of Vienna Institute for Theoretical Chemistry Theoretical Biochemistry Group Waehringerstrasse 17/Parterre A-1090 Wien, Austria From jkl@ccl.net Fri Feb 16 23:52:53 1996 Received: from bedrock.ccl.net for jkl@ccl.net by www.ccl.net (8.6.10/950822.1) id XAA13255; Fri, 16 Feb 1996 23:52:52 -0500 Received: from krakow.ccl.net for jkl@ccl.net by bedrock.ccl.net (8.7.1/950822.1) id XAA26797; Fri, 16 Feb 1996 23:52:50 -0500 (EST) From: Jan Labanowski Received: for jkl@ccl.net by krakow.ccl.net (8.6.10/920428.1525) id XAA00476; Fri, 16 Feb 1996 23:52:49 -0500 Date: Fri, 16 Feb 1996 23:52:49 -0500 Message-Id: <199602170452.XAA00476@krakow.ccl.net> To: chemistry@www.ccl.net Subject: Two-day list shoutdown Cc: jkl@ccl.net Status: R Content-Length: 3950 Dear CCL subscribers... The Coordinator sings a swan song before two-day list shutdown. I have a bad news and ... no ... good news. The bad news first. Our server, www.ccl.net (vel infomeister.ccl.osc) will undergo system change from SunOS to Solaris. It will be happening over the weekend, and nothing will work during Saturday and Sunday. Later on, there will be a long process of fixing the bugs, since UNIX is an operating system which takes care about jobs for computer specialists for a long time to come. The no good news are: 1) Remember that there are CCL archives where you can find conferences, jobs, software, documents, standards, text utilities, and other stuff, and, first of all, the old messages. The archives can be SEARCHED !!! To get the top page of the archives use Web http://www.ccl.net/chemistry.html To browse the archives use either Gopher gopher://www.ccl.net:73/ or FTP ftp://www.ccl.net/pub/chemistry since some files/directories may not be referenced in Web pages (I wish I had time to cope with keeping the hypertext pages current). Please tell me if you see some ommisions. Even if you do not have interactive/direct access to Internet, you can still use e-mail to retrieve everything from the archives and browse the directories, etc. Send a message: select chemistry help chemistry quit to MAILSERV@www.ccl.net to find all about CCL. If something does not work of needs update, bug me, since I do not check the interface and information in the archives, but I would wish for it to be useful and current. Why the reminders? Because so many times I see questions and requests on CCL to which answers are available in the CCL archives. 2) As you know, I have some filters installed to weed CCL from unwanted messages. This is quite important, since ANYONE from ANYWHERE is allowed to post to CCL. The filters are not perfect, but they do part of the job. One of them rejects messages from addresses which I keep in a special file. I place addresses there when I see somebody breaking the rules of the list (to get the rules see pt. 1). Then, when this person sends a message again, the message waits for me to be reviewed, and only then is released. And I am slow and lazy, and it may sit there forever. Moreover, the filters sometimes stop legitimate messages without an apparent reason. And these messages from innocent persons have to wait too. Frankly, sometimes, I have a hard time to let the message go since it is not really useful, but if it is within the rules, I let it go, or otherwise, I would have to be subjective (which I am anyhow...). I do not inform people that I placed their names on the restricted addresses list, since I really do not have time for lengthy correspondence and discussions about this fact -- which naturally follow (I know, and I would do the same -- we are all humans). So I act as the proverbial "big brother" and run a clandestine censorship joint here for selected individuals. You need to understand that what I do is not 100% waterproof: a) I react AFTER the fact, i.e., try to block a person after a sin to protect his/her against future sins (how nice of me...), b) I sometimes miss things, mistype, forget. In this case, somebody which should not post directly to the list, may sneak in again. Obvioulsy, the way around my old bag of tricks is to use some other e-mail address when sending to the list. So sorry about the long piece above, and use archives since they have much useful stuff contributed from good people all over the world. Your coordinator, Jan -- Dr. Jan K. Labanowski, Senior Research/Supercomputer Scientist/Specialist, etc. Ohio Supercomputer Center, 1224 Kinnear Rd, Columbus, OH 43212-1163 ph:(614)-292-9279, FAX:(614)-292-7168, E-mail: jkl@ccl.net JKL@OHSTPY.BITNET From h.rzepa@ic.ac.uk Sat Feb 17 04:27:29 1996 Received: from punch.ic.ac.uk for h.rzepa@ic.ac.uk by www.ccl.net (8.6.10/950822.1) id EAA15112; Sat, 17 Feb 1996 04:17:06 -0500 Received: from judy.ic.ac.uk by punch.ic.ac.uk with SMTP (PP); Sat, 17 Feb 1996 09:15:45 +0000 Received: from cscmgb.cc.ic.ac.uk (sg1.cc.ic.ac.uk [155.198.63.8]) by judy.ic.ac.uk (8.7.3/8.7.3) with SMTP id JAA15135 for ; Sat, 17 Feb 1996 09:15:39 GMT Received: from [155.198.63.17] by cscmgb.cc.ic.ac.uk (940816.SGI.8.6.9/4.0) id JAA03751; Sat, 17 Feb 1996 09:15:28 GMT X-Sender: rzepa@155.198.63.8 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Sat, 17 Feb 1996 09:22:54 +0000 To: chemistry@www.ccl.net From: h.rzepa@ic.ac.uk (Rzepa,Henry) Subject: Re: CCL:Java in (Bio)Chemistry >Hi! > >After becoming (a bit) familiar with Java (see http://java.sun.com), I wonder >what activities exist to use it for computational (bio)chemistry?! We have a Java project page running. Expect to see much more over the coming months. htpp://www.ch.ic.ac.uk/java/