From chemistry-request \\at// ccl.net Sat Apr 3 01:04:08 2004 Received: from mail.chem.tamu.edu (mail.chem.tamu.edu [165.91.176.8]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i33647js001399 for ; Sat, 3 Apr 2004 01:04:07 -0500 Received: from [165.91.7.185] (account yubofan.-at-.mail.chem.tamu.edu) by mail.chem.tamu.edu (CommuniGate Pro WebUser 4.1.8) with HTTP id 1252123 for chemistry.-at-.ccl.net; Sat, 03 Apr 2004 00:07:35 -0600 From: "Yubo Fan" Subject: unit for density in G03 To: chemistry.-at-.ccl.net X-Mailer: CommuniGate Pro WebUser Interface v.4.1.8 Date: Sat, 03 Apr 2004 00:07:35 -0600 Message-ID: MIME-Version: 1.0 Content-Type: text/plain; charset="ISO-8859-1"; format="flowed" Content-Transfer-Encoding: 8bit X-Spam-Status: No, hits=0.0 required=7.0 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Hi, I'm going to calculate solvation energy in N,N-dimethylacetamide (DMA) solution. I've got the dieletric constant and the calculated solvent radius for DMA, but I'm not sure what is the unit I should use for the density of DMA in the Gaussian 03 input file. Is it g/ml? Thanks in advance. Yubo Fan