ab-initio calculation on conjugated Dienes

From: Pino Milano <pino : at : chem.unisa.it>
Organization: Department of Chemistry
Subject: ab-initio calculation on conjugated Dienes
Date: Mon, 26 Oct 1998 09:34:52 +0100

 Dear Netters,
 I would appreciate to receive some informations about ab-inito or DFT
 calculations on dienes or dienes conjugated.  In particular on eta3
 (allylic) and
 eta1 (sigma) equilibria tipical of these system when they are bounded to
 metals.
 Thanks in advance
 Pino
 ======================
 Pino Milano
 University of Salerno
 ITALY
 e-mail pino : at : jsbach.dichi.unina.it
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