학술논문
Quasiclassical trajectory study of the F + CH4 reaction dynamics on a dual-level interpolated potential energy surface
Document Type
Academic Journal
Author
Source
Journal of Physical Chemistry A. Sept 29, 2005, Vol. 109 Issue 38, p8459, 12 p.
Subject
Language
English
ISSN
1089-5639
Abstract
The interpolation method of Collins and co-workers was used to construct an ab initio interpolated potential energy surface (PES) for the F + CH4 reactive system. The PES was used to carry out a detailed quasiclassical trajectory study of integral and differential cross sections, product rovibrational populations and internal energy distributions for the F + CH4 and F + CD4 reactions.