From chemistry-request@server.ccl.net Wed Mar 26 22:22:32 2003
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Date: Thu, 27 Mar 2003 11:16:41 +0800
From: 丁迅雷 <dxl@mail.ustc.edu.cn>
Reply-To: dxl@mail.ustc.edu.cn
To: CCls <CHEMISTRY@ccl.net>
Subject: need help-TS calculation on dmol3 under Linux
Organization: 中国科大选键化学实验室
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