From pang@iris.chem.cuhk.edu.hk Sat May 16 03:31:18 1998 Received: from iris.chem.cuhk.edu.hk for pang@iris.chem.cuhk.edu.hk by www.ccl.net (8.8.3/950822.1) id DAA23746; Sat, 16 May 1998 03:25:06 -0400 (EDT) Received: by iris.chem.cuhk.edu.hk (940816.SGI.8.6.9/940406.SGI.AUTO) id PAA01631; Sat, 16 May 1998 15:26:28 +0800 Date: Sat, 16 May 1998 15:26:24 +0800 (HKT) From: Pang Siu Kwong To: chemistry@www.ccl.net Subject: Full Linear Search and Maximum Rotation Gradient Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello! In Guaussian 94, there are three techniques, SD, SSD and QC, for convergence. How does the "Full Linear Search" affect the convergence when using these techniques? If the convergence problem encounters, does the "Full Linear Search" help? Furthermore, how does the Maximum Rotation Gradient affect the QC? If the convergence problem encounters, does change the value of "Maximum Rotation Gradient" for solving this problem? Thank your for your attention. P. Pang From A_SALEM@FRCU.EUN.EG Sat May 16 05:31:18 1998 Received: from FRCU.EUN.EG for A_SALEM@FRCU.EUN.EG by www.ccl.net (8.8.3/950822.1) id FAA23929; Sat, 16 May 1998 05:03:19 -0400 (EDT) From: Received: from FRCU.EUN.EG by FRCU.EUN.EG (PMDF V5.1-9 #20502) id <01IX3MQG2AVK000LVQ@FRCU.EUN.EG> for chemistry@www.ccl.net; Sat, 16 May 1998 12:02:55 +0200 Date: Sat, 16 May 1998 12:02:54 +0200 Subject: Chemistry Courses To: chemistry@www.ccl.net Message-id: <01IX3MQG9SXU000LVQ@FRCU.EUN.EG> X-VMS-To: IN%"chemistry@www.ccl.net" MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII From: FRCU::A_SALEM 16-MAY-1998 11:09:34.62 To: IN%"chemistry@informeister.ccl.net" CC: A_SALEM Subj: Chemistry Courses Dear CCl collegues I am doing a comparative study about teaching Chemistry for pre- and post-graduate level. This is in the frame of our university effort for developing University education. All Chemistry topics including Computational, Analytical, Organic, Physical and Inorganic,....etc are required. Therefore, I would be so grateful for all who will reply me with chemistry syllabus at their universities. Data from Europe, USA, Cnada, ...other places are required. I aslo would be so grateful for reffering me to any site at the internet where one can find such information. REsults will be statistically treated, summarized and posted to the CCL. Yours sincerely Dr. Alaa Salem Depart. Chemistry Faculty of Science Cairo University Egypt.