From owner-chemistry@ccl.net Thu Sep 10 18:12:01 2015 From: "Jens Spanget-Larsen spanget~!~ruc.dk" To: CCL Subject: CCL: SV: Case Studies of QM Computational Chemistry in Reactivity Message-Id: <-51700-150910174806-27345-ZY/7HEncFmbVLSTqt46L5Q^-^server.ccl.net> X-Original-From: Jens Spanget-Larsen Content-Language: da-DK Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Thu, 10 Sep 2015 21:47:35 +0000 MIME-Version: 1.0 Sent to CCL by: Jens Spanget-Larsen [spanget#%#ruc.dk] "Quantum chemistry is faced with two fundamental problems: How to reduce chemistry, in a practical way, to numerics; And how to avoid doing so and still benefit from theory" K. Wittel, S.P. McGlynn, Chem. Rev. 77, 745 (1977) ------------------------------------------------------ JENS SPANGET-LARSEN Office: +45 4674 2710 Dept. of Science Fax: +45 4674 3011 Roskilde University Mobile: +45 2320 6246 P.O.Box 260 E-Mail: spanget-*-ruc.dk DK-4000 Roskilde, Denmark http://www.ruc.dk/~spanget ------------------------------------------------------