From oosten@rulhm1.LeidenUniv.nl Mon Oct 26 17:43:18 1992 Date: Mon, 26 Oct 92 16:43:18 +0100 From: oosten@rulhm1.LeidenUniv.nl (A.B. van Oosten) To: chemistry@ccl.net Subject: pseudo-Jahn-Teller distortion A while ago the deformation of azepine in its excited triplet state was a topic on this net. This symmetry breaking can be viewed as resulting from the vibronic mixing of triplet states close in energy to each other. A nice and thoroughly studied example of the pseudo-Jahn-Teller effect is pyridine. References: E. J. J. Groenen, W. J. Buma and J. Schmidt, Isr. J. Chem., 29, 99-108 (1989) ; W. J. Buma, E. J. J. Groenen, J. Schmidt and R. de Beer, J. Chem. Phys. 91, (1989) 6549-65 ; W. J. Buma, E. J. J. Groenen and M. C. van Hemert, J. Am. Chem. Soc., 112 (1990) 5447-51. +---------------------------------------+-----------------------------------+ | Tony van Oosten | Huygens Laboratory | | | University of Leiden | | Ab initio cluster calculations | PO Box 9504, 2300 RA Leiden, | | on Defects in Semiconductors | The Netherlands | | | Phone: (+31) 71 275908 | | | Fax: (+31) 71 275819 | +---------------------------------------+-----------------------------------+ | Network : | +---------------------------------------------------------------------------+ From polygen!umpolygen!barbara_graham Mon Oct 26 12:56:36 1992 Date: 26 Oct 92 10:39:01 U From: "Barbara Graham" Subject: Change of Address for CDA N To: chemistry@ccl.net Subject: Time:10:28 AM OFFICE MEMO Change of Address for CDA News Date:10/26/92 Dear Comp Chem Netters: CDA News is moving to expanded quarters. Please note our new address as of 2 November 1992: 16 New England Executive Park, Burlington, MA 01803-5297 (Telephone: 617-229-9800; FAX: 617-229-9899; e-mail: bfg@east.msi.com). Anyone interested in receiving a comp copy of CDA News should contact our Business Manager, Patricia J. Bolis, at the above phone or FAX. Please continue to keep in touch with us---we enjoy hearing from all of you! Regards, Barbara F. Graham, Editor From taaffe@siam.org Mon Oct 26 07:28:27 1992 Date: Mon, 26 Oct 92 12:28:27 EST From: STT To: chemistry@ccl.net Subject: No Subject Given The following is an attached File item from cc:Mail. It contains eight bit information which had to be encoded to insure successful trans- mission through various mail systems. To decode the file use the UUDECODE program. --------------------------------- Cut Here --------------------------------- begin 644 PRESS M4TE!32!#;VYF97)E;F-E(&]N#0I3:6UU;&%T:6]N(&%N9`T*36]N=&4@0V%R M;&\@365T:&]DFEN9R!!;&=O2!!;&=O7-I2!F;W(@26YD=7-TI have seen many requests for email addresses on many lists. The internet >provides a service for this: >telnet bruno.cs.colorado.edu This system is also available elsewhere, specifically on archie.au (AARNet, Melbourne, Australia) >For the last email address request, I took almost two minutes to find Rajiv >Bendale's email address, and I don't even know who he is. You did quite well, in that case. I would not put too much faith in this system - I tried it a few weeks ago, and it couldn't find the addresses of friends that I already knew, much less people I didn't know. Still, I suppose it can be a first step, before writing to osc.... Ross -------------------------------------------------------------------------------- Ross Mair Email: rwm@stan.xx.swin.oz.au NMR Lab Snail: Mail 41, Swinburne University, Applied Chemistry Dept PO Box 218, Hawthorn, 3122. Swinburne University of Technology Fax: +61-3-8190834 Hawthorn, Victoria, Australia Voice: +61-3-8198843 Amusing quote missing due to lack of inspiration! --------------------------------------------------------------------------------