From owner-chemistry@ccl.net Thu Apr 19 18:11:01 2018 From: "Boyd, Donald B. dboyd{=}iupui.edu" To: CCL Subject: CCL: 100 years of computational chemistry? Message-Id: <-53243-180419151058-20523-7VSTKgdC2g6KL4MWrsKZ4A.@.server.ccl.net> X-Original-From: "Boyd, Donald B." Content-ID: <8E307B6A83429741919D0B628D4CC081.@.exchange.iu.edu> Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Thu, 19 Apr 2018 19:10:48 +0000 MIME-Version: 1.0 Sent to CCL by: "Boyd, Donald B." [dboyd**iupui.edu] Many computational chemists consider the founding of the field to be the launch of the Journal of Computational Chemistry in 1980 by Professor Norman Lou Allinger, Editor. He first presented his idea of the need for a new journal to the American Chemical Society. The bureaucrats there were not interested. So, Professor Allinger shopped his proposal to the publisher John Wiley & Sons. They could see the wisdom and foresightedness of his idea and made it a reality with Dr. Allinger as Editor. Twenty-five years later the ACS bureaucrats finally woke up and launched the Journal of Chemical Theory and Computation (JCTC) and the Journal of Chemical Information and Modeling (JCIM) in 2005 with Professor William Jorgensen as Editor in Chief. Prior to Allinger in 1980, people working in the field were generally considered to be theoretical chemists. Donald B. Boyd, Ph.D. Research Professor of Chemistry Department of Chemistry and Chemical Biology Indiana University-Purdue University Indianapolis Indianapolis, Indiana 46202-3274, U.S.A. Website http://chem.iupui.edu/people/donald-b-boyd Founder, American Chemical Society's annual symposium on Emerging Technologies in Computational Chemistry Cofounder, Reviews in Computational Chemistry, http://chem.iupui.edu/rcc/rcc.html Cofounder, Gordon Research Conference on Computational Chemistry, http://chem.iupui.edu/rcc/grccc.html > On Apr 19, 2018, at 2:57 AM, German Ignacio Sastre Navarro gsastre^_^itq.upv.es wrote: > Sent to CCL by: German Ignacio Sastre Navarro [gsastre{}itq.upv.es] > Dear all, > What is considered to be the founding (calculation/group/person) > of computational chemistry? > Have we already celebrated 100 years? > Thanks > Best regards > German > ---------------------------------------------------------------------- > German Sastre http://www.upv.es/~gsastre > Instituto de Tecnologia Quimica (UPV-CSIC) e-mail: gsastre ~~ itq.upv.es > Universidad Politecnica de Valencia Phone: +34-96-387-9445 > Av. Los Naranjos s/n, 46022 Valencia (Spain) Fax: +34-96-387-7809 > ----------------------------------------------------------------------