Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375356 | Chemical Physics | 2009 | 6 Pages |
Abstract
In this work, the reaction O(1D) + H2 â OH + H has been theoretically studied using the quasiclassical trajectory (QCT) method developed by Han and co-workers. All the quasiclassical trajectory calculations are performed on the DK (Dobbyn and Knowles) potential energy surface (PES). The vector correlation information on the reaction O(1D) + H2 â OH + H has been obtained. It has been demonstrated that the product alignment is sensitive to the reactant vibrational quantum number (v) at collision energy of 19 kcal/mol. Moreover, with increasing the value of v, backward scattering becomes weaker and forward scattering becomes stronger.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tian-Yun Chen, Wei-Ping Zhang, Xin-Qiang Wang, Guang-Jiu Zhao,