- 作者: Budenholzer, Frank E. ; 林妙娟
- 作者服務機構: 輔仁大學化學系
- 中文摘要: Classical trajectories were calculated for the F+ H/sub 2/ reaction over two potential energy surfaces: (1) the well known Muckerman 5 surface (Theoretical Chemistry: Advances and Perspectives 1981, 6A, 1) and (2) the recent surface of Stark and Werner (J. Chem. Phys. 1996, 104, 6515). Integral cross sections, state specified cross sections, differential cross sections and product energy distributions were calculated for the two surfaces. Since the methods for calculating the trajectories and expressing differential cross sections were identical for both surfaces, the rather substantial differences in the results are clearly due to differences in the potential surfaces. The results are discussed in terms of the special characteristics of the two surfaces.
- 英文摘要: --
- 中文關鍵字: Differential Cross Section; Energy Distribution; Potential Energy Surface
- 英文關鍵字: 微分截面;能量分布;位能表面