From chemistry-request-!at!-ccl.net Sat Nov 8 02:54:02 2003 Received: from york.smtp.ru (york.smtp.ru [62.118.249.10]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hA87rUVc002510 for ; Sat, 8 Nov 2003 02:53:31 -0500 Received: from [193.233.4.2] (account octy~at~smtp.ru HELO smtp.ru) by york.smtp.ru (CommuniGate Pro SMTP 3.5.9) with ESMTP id 25559011 for chemistry~at~ccl.net; Sat, 08 Nov 2003 10:53:29 +0300 Message-ID: <3FACA0D3.7020502~at~smtp.ru> Date: Sat, 08 Nov 2003 10:52:51 +0300 From: Ivan Fedyanin User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.0; en-US; rv:1.6a) Gecko/20031104 Thunderbird/0.4a X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry~at~ccl.net Subject: CCL: NWChem and AIM theory Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=-0.1 required=7.0 tests=USER_AGENT_MOZILLA_UA,X_ACCEPT_LANG version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Hi folks! Does anyone know if it's possible to use NWCHEM package to study the electron density in the terms of R.F. Bader's AIM theory (probably using additional software)? Thanks in advance! -- Ivan V. Fedyanin X-Ray Structural Centre Institute of Organoelement Compounds 28 Vavilov St., B-334, Moscow 119991, Russia ___________________ mailto:octy~at~smtp.ru