From owner-chemistry@ccl.net Fri Aug 31 06:26:00 2007 From: "immanuel feng feng.immanuel- -gmail.com" To: CCL Subject: CCL:G: Keyword for new DFT methods Message-Id: <-35064-070831062344-10403-V3d4n1TmY2r55b/z+h+w1g .. server.ccl.net> X-Original-From: "immanuel feng" Content-Type: multipart/alternative; boundary="----=_Part_2556_18877342.1188555816168" Date: Fri, 31 Aug 2007 18:23:36 +0800 MIME-Version: 1.0 Sent to CCL by: "immanuel feng" [feng.immanuel|*|gmail.com] ------=_Part_2556_18877342.1188555816168 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Hi, thanks to Richard for his answer, I am also looking for the keyword of running some fairly new DFT B97-3, M05, M05-2X, and M06-L with Gaussian03, could anyone tell me? ------=_Part_2556_18877342.1188555816168 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Hi, thanks to Richard for his answer, I am also looking for the keyword of running some fairly new DFT B97-3, M05, M05-2X, and M06-L with Gaussian03, could anyone tell me? ------=_Part_2556_18877342.1188555816168-- From owner-chemistry@ccl.net Fri Aug 31 10:41:00 2007 From: "Jozsef Csontos jozsefcsontos(a)creighton.edu" To: CCL Subject: CCL:G: Keyword for new DFT methods Message-Id: <-35065-070831102914-18572-z7sW5S1I8EsmP06e4T61SQ###server.ccl.net> X-Original-From: Jozsef Csontos Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Fri, 31 Aug 2007 08:53:43 -0500 Mime-Version: 1.0 Sent to CCL by: Jozsef Csontos [jozsefcsontos]~[creighton.edu] Hi, you should check out Don Truhlar's homepage for this kind of information. http://comp.chem.umn.edu/info/DFT.htm All the best, Jozsef On Fri, 2007-08-31 at 18:23 +0800, immanuel feng feng.immanuel- -gmail.com wrote: > Hi, thanks to Richard for his answer, I am also looking for the > keyword of running some fairly new DFT B97-3, M05, M05-2X, and M06-L > with Gaussian03, could anyone tell me? -- Jozsef Csontos, Ph.D. (jozsefcsontos_at_creighton.edu) Department of Biomedical Sciences Creighton University, Omaha, NE From owner-chemistry@ccl.net Fri Aug 31 20:29:01 2007 From: "Jeff Nauss jnauss _ accelrys.com" To: CCL Subject: CCL: Accelrys Customer Training for September and October Message-Id: <-35066-070831202717-27387-ElOnE5D8K/L9qiC+bqEByw|a|server.ccl.net> X-Original-From: Jeff Nauss Content-Type: text/plain; charset="US-ASCII" Date: Fri, 31 Aug 2007 17:27:04 -0700 MIME-Version: 1.0 Sent to CCL by: Jeff Nauss [jnauss : accelrys.com] Accelrys Inc. are holding the following training workshops during September and October 2007. These events are designed to help you get more value from your Accelrys software, helping you to better accomplish your research goals. Cost for the on-line presentations is $175 per three hour session for all customers. ONLINE TRAINING Introduction to Discovery Studio 5 Sept (4pm BST) Insight II to Discovery Studio Migration 6 Sept (4pm BST) Sequence Analysis for Homology Modeling 18 Sept (4pm BST) Protein Homology Modeling in Discovery Studio 19 Sept (4pm BST) Simulations in Discovery Studio (Parts 1&2) 20-21 Sept (4pm BST) Docking & Scoring in Discovery Studio 24 Sept (4pm BST) De Novo Design with Discovery Studio 25 Sept (4pm BST) Catalyst to Discovery Studio Migration 26 Sept (4pm BST) Pharmacophore Modeling with Discovery Studio (Parts 1&2) 27-28 Sept (4pm BST) Catalyst Migration 10 Oct (4pm BST) Insight II to Discovery Studio Migration 17 Oct (7am PST) Introduction to Materials Studio 23 Oct (4pm BST) QSAR in Materials Studio 24 Oct (4pm BST) Further details can be found on our website at http://www.accelrys.com/training/general/calendar.html and http://www.accelrys.com/services/training/general/calendar.html. Questions regarding scheduling and content should be directed to workshops:+:accelrys.com -- Jeffrey L. Nauss, Ph.D. Lead Training Scientist Accelrys 10188 Telesis Court, Suite 100 San Diego, CA 92121-4779 Phone: +1-858-799-5555 Fax: +1-858-799-5100 http://www.accelrys.com/services/training/