From young@semi.korea.ac.kr Fri Jul 22 02:55:24 1994 Received: from han.hana.nm.kr for young@semi.korea.ac.kr by www.ccl.net (8.6.9/930601.1506) id CAA10901; Fri, 22 Jul 1994 02:30:57 -0400 Received: from kuccgx.korea.ac.kr by han.hana.nm.kr (4.1/KUM-0.1) id AA26520; Fri, 22 Jul 94 14:23:19 KST Received: from semi.korea.ac.kr by kuccgx.korea.ac.kr (AIX 3.2/UCB 5.64/4.03) id AA07888; Fri, 22 Jul 1994 15:00:25 -1500 Received: by semi.korea.ac.kr (4.1/SMI-4.1) id AA00598; Fri, 22 Jul 94 15:29:48 KDT From: young@semi.korea.ac.kr (Hyun Su Kim) Message-Id: <9407220529.AA00598@semi.korea.ac.kr> Subject: change e-mail address.. To: chemistry@ccl.net Date: Fri, 22 Jul 94 15:29:48 GMT+9:00 X-Mailer: ELM [version 2.4dev PL32] Dear Netters.. I have a new site. So, could you send a information to this new e-mail address? old address: young@semi.korea.ac.kr new address: young@jaggy.korea.ac.kr Thanks for your consideration.. Sincerely yours, young. ------------------------------------------------------------------ Real Name : HyunSu Kim. Department: Korea University Chemistry Department, Seoul, Korea. ------------------------------------------------------------------ From toukie@zui.unizh.ch Fri Jul 22 03:55:24 1994 Received: from rzusuntk.unizh.ch for toukie@zui.unizh.ch by www.ccl.net (8.6.9/930601.1506) id DAA11226; Fri, 22 Jul 1994 03:30:01 -0400 Received: by rzusuntk.unizh.ch (4.1/SMI-4.1.9) id AA16088; Fri, 22 Jul 94 09:30:58 +0200 X-Nupop-Charset: British Date: Fri, 22 Jul 1994 08:27:33 +0100 (MET) From: "Hr Dr. S. Shapiro" Sender: toukie@zui.unizh.ch Reply-To: toukie@zui.unizh.ch Message-Id: <30454.toukie@zui.unizh.ch> To: chemistry@ccl.net Subject: Experimental vaues for C-D, C-T? Dear Colleagues; I would appreciate if anyone with references to experimental determina- tions of carbon-deuterium (C-D) and carbon-tritium (C-T) bond lengths and strengths/energies in non-cyclic alkanes (e.g., CH3(CH2)nCH2D, CH3(CH2)n- CH2T) would send me copies of these citations so that I may check them out. I thank all responders in advance for their assistance. Sincerely, (Dr.) S. Shapiro Internet: toukie@zui.unizh.ch From chuck@iaccess.cstat.co.za Fri Jul 22 04:01:10 1994 Received: from mickey.iaccess.za for chuck@iaccess.cstat.co.za by www.ccl.net (8.6.9/930601.1506) id DAA11213; Fri, 22 Jul 1994 03:25:31 -0400 Received: from slipper225.iaccess.za by mickey.iaccess.za with smtp (Smail3.1.28.1 #1) id m0qREzR-0004HtC; Fri, 22 Jul 94 09:25 GMT+0200 Message-Id: From: "Charles Marais" To: chemistry@ccl.net Date: Fri, 22 Jul 1994 09:12:19 SAT-2 Subject: Re: Wanted: Program to do cluster analysis Reply-to: chuck@iaccess.za Priority: normal X-mailer: Pegasus Mail/Windows (v1.11a) > |> I have a set of data, basically x vs y, which forms a scatter graph. I would > |> like to analyses the data to see if there is any significant clusters, ie if > |> some of the points all fall within a cluster, and what the probability is > |> that this is a random effect. ... > |> Andy. > |> Structural and Computation Chemistry Group_________chp1aa@uk.ac.surrey - JANET. > Most stats programs do this, also the Cambridge Structural Database suite. An excellent review was recently written by Tom auf der Heyde in the South African Journal of Chemistry. Charles ---------------------------------------------------------------------------------------- Dr Charles Marais Phone 27-21-788-2248 Southern Scientific Fax 27-21-788-6613 17 Capri Rd Email Chuck@iaccess.cstat.co.za St James Chuck@psipsy.uct.ac.za South Africa 7945 ----------------------------------------------------------------------------------------- From Patrick.Bultinck@rug.ac.be Fri Jul 22 04:55:31 1994 Received: from mserv.rug.ac.be for Patrick.Bultinck@rug.ac.be by www.ccl.net (8.6.9/930601.1506) id EAA11655; Fri, 22 Jul 1994 04:32:36 -0400 Received: from allserv.rug.ac.be by mserv.rug.ac.be with SMTP id AA16691 (5.67b/IDA-1.5 for ); Fri, 22 Jul 1994 10:32:57 +0200 Received: by allserv.rug.ac.be (5.0/SMI-SVR4) id AA01171; Fri, 22 Jul 94 10:29:47 +0200 Date: Fri, 22 Jul 1994 10:29:47 +0200 (MET DST) From: Patrick Bultinck Subject: Choice of Z-matrix To: chemistry@ccl.net Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Content-Length: 576 Dear Netters, I was wondering if anyone had some clues or ideas on how to set up a Z-matrix. The trouble is that some of my optimizations do not converge to a stationary point. However when I make another alternative Z-matrix I converge to the Stat. Point. Now my question is : how does one judge, given e.g. five different possibilities, which is the best Z-matrix. Is this a matter of "Zen" or rather a matter of "science" ? Thanks for your time, a summary will be made if useful answers get to me. Patrick, University of Ghent, Belgium Patrick.Bultinck@rug.ac.be From thomas@salz.phych.ba-freiberg.de Fri Jul 22 07:55:27 1994 Received: from salz.phych.ba-freiberg.de for thomas@salz.phych.ba-freiberg.de by www.ccl.net (8.6.9/930601.1506) id HAA12527; Fri, 22 Jul 1994 07:03:35 -0400 From: Received: by salz.phych.ba-freiberg.de (AIX 3.2/UCB 5.64/4.03) id AA09074; Fri, 22 Jul 1994 13:05:01 +0200 Message-Id: <9407221105.AA09074@salz.phych.ba-freiberg.de> Subject: Search for 3D-Graphic Program To: chemistry@ccl.net Date: Fri, 22 Jul 94 13:05:00 DFT X-Mailer: ELM [version 2.3 PL2] Dear Netters To show some results of my work, i search for a usefull 3D graphic program. For 2D graphic (X-Y-Plots) we use xmgr, its beautyfull, but does not 3D. Does anyone from you know such a program, but public domain or shareware ? Thank you thomas@salz.phych.ba-freiberg.de