From chemistry-request@server.ccl.net Mon Apr 3 10:36:56 2000 Received: from ccl.net (atlantis.ccl.net [192.148.249.4]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA16134 for ; Mon, 3 Apr 2000 10:36:56 -0400 Received: from iacs.res.in (root@mahendra.iacs.res.in [202.54.54.226]) by ccl.net (8.9.3/8.9.3/OSC 2.0) with ESMTP id KAA17076 for ; Mon, 3 Apr 2000 10:36:37 -0400 (EDT) Received: from spsc.iacs.res.in ([192.168.1.112]) by iacs.res.in (8.8.5/8.8.5) with SMTP id UAA16434 for ; Mon, 3 Apr 2000 20:06:58 +0530 Message-ID: <001701bf9d7a$444e0d00$7001a8c0@iacs.res.in> From: "Mr. Subhasis Panja" To: Subject: help Date: Mon, 3 Apr 2000 20:08:21 +0530 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2314.1300 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2314.1300 Dear Sir, I am a student and I like to use the software MOPAC7 in purpose of some quantum chemical calcillation, in this regards to calcullate the energy states of a molecule in solution phase, I should have to include the SOLVENT parameters but I dont know the actual kewwords for including the solvent parameter and how to use that. So if you kindly suggest me how I can include the solvent parameters in calculation of energy states in solution phase, I will be grateful to you. Thanking you Sincerely your's Subhasis Panja My e-mail address is spsp@mahendra.iacs.res.in