From allouche -8 at 8- piimsdm11.univ-mrs.fr Wed Feb 4 12:29:28 1998 Received: from piimsdm11.univ-mrs.fr for allouche %-% at %-% piimsdm11.univ-mrs.fr by www.ccl.net (8.8.3/950822.1) id LAA23217; Wed, 4 Feb 1998 11:35:32 -0500 (EST) Received: from piimsdm11.univ-mrs.fr (localhost [127.0.0.1]) by piimsdm11.univ-mrs.fr (950413.SGI.8.6.12/950213.SGI.AUTOCF) via SMTP id RAA29421 for ; Wed, 4 Feb 1998 17:53:50 +0100 Sender: allouche-: at :-piimsdm11.univ-mrs.fr Message-ID: <34D89D1E.41C6 /at\piimsdm11.univ-mrs.fr> Date: Wed, 04 Feb 1998 17:53:50 +0100 From: Allouche Alain Organization: PIIM - UMR6633 X-Mailer: Mozilla 3.01SGoldC-SGI (X11; I; IRIX 6.3 IP32) MIME-Version: 1.0 To: chemistry-: at :-www.ccl.net Subject: Al2O3 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi all CCLers, I need references about ab initio or DFT calculation on Al2O3 clusters (or similar ionic-covalent systems). The main problem is how to saturate the oxygen bonds. Thanks a lot in advance -- PPPPPPPP II II MM MM PP P II II MMM MMM PPPPPPPP II II MM M M MM _____ PP II II MM M MM | PP Ii II MM MM | | ALLOUCHE Alain | | PIIM - CNRS UMR 6633 | | Spectrometrie et Dynamique Moleculaire | | Campus Universitaire Saint Jerome | | Service 541 | | 13397 Marseille Cedex 20 - France | | | | Tel : (33) 4.91.28.85.76 | | Fax : (33) 4.91.63.65.10 | | allouche ":at:" piimsdm11.univ-mrs.fr / |_______________________________________/