TC09		15min10:59

PRAKASHAN P. KORAMBATH, X. T. WU, E. F. HAYES, C. C. CARTER AND TERRY A. MILLER, Dept. of Chemistry, The Ohio State University, Columbus, OH 43210.

\noindent A semiempirical potential energy surface for Kr-HS van der Waals type molecule will be presented. The nature of the PES is similar to that proposed for Ar-HO by Bowman and co-workers [1]. The parameters in the Ar-HO surface was modified using an efficient nonlinear fit program to agree with experimental measurements for Kr-HS molecule by Miller and co--workers [2]. The calculated results will be reported along with comparisons with the experimental results of Miller and co--workers. Quantitative insights into the interaction potentials for similar systems will be discussed. \medskip \leftline\rule 6.72in .01in \beginitemize em[1.] J. M. Bowman, B. Gazdy, P. Schafer, M. C. Heaven. J. Phys. Chem 94 2226 (1990). em[2.]Private communication from T. A. Miller, Ohio State University. \enditemize \leftline\rule 6.72in .01in