From VERCAU@BNANDP11.bitnet Thu Feb 20 13:05:28 1992 Date: Thu, 20 Feb 92 19:05:01 +01 From: "Daniel P. Vercauteren" To: CHEMISTRY-REQUEST@ccl.net Status: R ************************************************************************ * * * Educative Session in Large Scale Computation for Quantum * * Physics and Chemistry * * * * Programme Gouvernemental en Technologie de l'Information * * Calcul de Puissance en Chimie et Physique Quantiques * * * * Facultes Universitaires Notre-Dame de la Paix, Namur, Belgium * * Namur Scientific Computing Facility Center * * J.-M. Andre and J.-P. Vigneron * * * ************************************************************************ Second 1992 Announcement Specialized Lectures: --------------------- Prof. J.L. Encarnacao, Tech. Hochschule Darmstadt Advanced Topics in Computer Graphics (6 hours) March 11, 1992: from 16h00 to 18h00 in auditorium CH2 - Computer Graphics Systems - Computer Graphics Programming March 12, 1992: from 16h00 to 18h00 in auditorium CH2 - Imaging Techniques - Graphics Modeling March 13, 1992: from 10h35 to 12h35 in auditorium CH2 - Simulation and Animation Techniques - Scientific Visualization For further information, please contact: - Prof. J.-P. Vigneron, Facultes Universitaires Notre-Dame de la Paix (FUNDP), Laboratoire de Physique du Solide (LPS), 61, rue de Bruxelles, B-5000 Namur, Belgium Tel.: +32 (81) 724711, Fax: +32 (81) 230391 E-mail: VIGNERON at SCF.FUNDP.AC.BE - Prof. D.P. Vercauteren, Facultes Universitaires Notre-Dame de la Paix (FUNDP), Laboratoire de Physico Chimie Informatique (PCI), 61, rue de Bruxelles, B-5000 Namur, Belgium Tel.: +32 (81) 724534, Fax: +32 (81) 724530 E-mail: VERCAU at SCF.FUNDP.AC.BE For registration, please send forms to: - Ms. M. Dory, Facultes Universitaires Notre-Dame de la Paix (FUNDP), Laboratoire de Chimie Moleculaire Structurale (CMS), 61, rue de Bruxelles, B-5000 Namur, Belgium Tel.: +32 (81) 724550, Fax: +32 (81) 724530 E-mail: DORY at SCF.FUNDP.AC.BE Registration Form for Prof. Encarnacao Specialized Lectures on Graphics ======================================================================= March 11-13, 1992, 16h00 to 18h00, Auditorium CH2 Last name: ............................................................ First name: ........................................................... Title: ................................................................ Address: .............................................................. .............................................................. .............................................................. .............................................................. Telephone: ............................................................ Fax: .................................................................. Telex: ................................................................ E-mail: ............................................................... Acknowledge-To: From chemistry-request@ccl.net Thu Feb 20 17:38:59 1992 Date: Thu, 20 Feb 92 15:54:12 CST From: "Dr. Piotr Paneth" Subject: solvation To: chemistry@ccl.net Status: R Dear Netters, - could someone compare (or point out an appropriate paper) Cramer/Truhlar's vs Zerner/Katritzky's (vs any other available) methods of including solvent enviroment in semiempirical calculations. - could someone outline the new keywords, connected with solvation, available in amsol. I'm trying to use Mopac 6 with 'sol' (Mosol) obtained by ftp, but I was denied Amsol manuals by QCPE. Evidently one can receive copies of manuals only with an order of appropriate software. any help will be appreciated, thanks, Piotr