CCL: SV: Case Studies of QM Computational Chemistry in Reactivity



 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
   ------------------------------------------------------