Dear Netters, Can anyone out there point to some program to calculate kinetic isotope effect (KIE) from the semiempirical FORCE calculations or ab initio calculations? Please send e-mail directly to me and I will send summary to the list. Thanks in advance and also after, Uko Maran. -- Department of Chemistry University of Florida e-mail: uko (+ at +) ufark2.chem.ufl.edu