From chemistry-request@server.ccl.net Fri Jun 2 11:07:36 2000 Received: from szermierz.uni.wroc.pl (szermierz.uni.wroc.pl [156.17.93.253]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA29984 for ; Fri, 2 Jun 2000 11:07:33 -0400 Received: from wchuwr.chem.uni.wroc.pl (wchuwr.chem.uni.wroc.pl [156.17.103.193]) by szermierz.uni.wroc.pl (8.9.1/8.9.1) with ESMTP id RAA26378 for ; Fri, 2 Jun 2000 17:58:46 +0200 (CEST) Received: from WCHUWR/SpoolDir by wchuwr.chem.uni.wroc.pl (Mercury 1.44); 2 Jun 00 17:10:03 MET Received: from SpoolDir by WCHUWR (Mercury 1.44); 2 Jun 00 17:09:54 MET From: "Adrian Radomir Jaszewski" Organization: University of Wroclaw (Chemistry) To: chemistry@server.ccl.net Date: Fri, 2 Jun 2000 17:09:44 MET Subject: van Duijneveldt/IGLO-III basis sets Priority: normal X-mailer: Pegasus Mail/Windows (v1.22) Message-ID: Dear CCLers, I am looking for the basis set of van Duijneveldt as well as IGLO-III set of Kutzelnigg et al. The original reference are: F.B.van Duijneveldt, IBM Res.J. 1971, p.945 for the (13s8p,8s) [7s4p,5s] basis set and W.Kutzelnigg, U.Fleischer, M.Schindler, NMR-Basic Principles and Progress, Springer-Verlag, Heidelberg, 1990, vol.23 for the (11s7p2d,6s2p) set contracted to [7s6p2d/4s2p]. Unfortunately, I haven't access to this paper/book. I would like to know all exponents and contraction coefficients for hydrogen, carbon, nitrogen and oxygen atoms. I will be very grateful for any information on this theme. Thank you in advance Best regards, Adrian =============================================== Adrian R. Jaszewski Faculty of Chemistry UNIVERSITY OF WROCLAW 14 Joliot-Curie St. 50-383 Wroclaw Poland e-mail: adrian@wchuwr.chem.uni.wroc.pl ================================================