From chemistry-request@www.ccl.net Tue Mar 30 07:36:20 1999 Received: from asterix.uni-muenster.de (chan@ASTERIX.UNI-MUENSTER.DE [128.176.188.90]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id HAA06694 Tue, 30 Mar 1999 07:36:17 -0500 (EST) Received: from localhost (chan@localhost) by asterix.uni-muenster.de (8.8.8/8.7.5) with ESMTP id MAA25604 for ; Tue, 30 Mar 1999 12:36:05 GMT X-Authentication-Warning: asterix.uni-muenster.de: chan owned process doing -bs Date: Tue, 30 Mar 1999 14:36:05 +0200 (MES) From: "Jerry C.C. Chan" To: chemistry@www.ccl.net Subject: shielding calculation of macro-ring Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Netters, My colleague has a plan to calculate the 13C and 1H chemical shifts of the following compound: CH2--phi--CH2 | | | | CH2--phi--CH2 Where phi denotes a benzene ring. We would be grateful if anyone could give us pointers to any published computational results of similar compounds. Any other advices are equally welcome. Many thanks, Jerry ****************************************************************** * Jerry Chun Chung CHAN chan@uni-muenster.de * * Universitaet Muenster * * Institut fuer Physikalische Chemie fax: 0049-251-83-29159 * * Schlossplatz 4-7 * * D-48149 Muenster * * Germany * ****************************************************************** ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ****************************************************************** * Jerry Chun Chung CHAN chan@uni-muenster.de * * Universitaet Muenster * * Institut fuer Physikalische Chemie fax: 0049-251-83-29159 * * Schlossplatz 4-7 * * D-48149 Muenster * * Germany * ****************************************************************** ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++