share
Acta Chimica Sinica ›› 2011, Vol. 69 ›› Issue (9): 1075-1080. Previous Articles Next Articles
Full Papers
孙海竹,刘新国*,刘会荣
投稿日期:
修回日期:
发布日期:
通讯作者:
SUN Hai-Zhu, LIU Xin-Guo, LIU Hui-Rong
Received:
Revised:
Published:
Share
The dynamic stereochemistry of the O++DH (v=0, 1, 2, 3, j=0)→OD++H reactions were studied using the quasi-classical trajectory (QCT) method on RODRIGO surface. Results indicate that the reagent s vibrational excitation has a considerable influence on the distribution of the k-j , k-k correlation and the k-k -j correlation. In addition, reaction probability and reaction cross section were found to be sensitive to the vibrational quantum number.
Key words: quasi-classical trajectory method, vector correlation, vibrational quantum number, reaction probability, reaction cross section
CLC Number:
O643
O641
SUN Hai-Zhu, LIU Xin-Guo, LIU Hui-Rong. Effect of Reagent Vibrational Excitation on the Reaction of O++DH (v=0, 1, 2, 3, j=0)→OD++H: A Quasi-classical Trajectory Study[J]. Acta Chimica Sinica, 2011, 69(9): 1075-1080.
Export EndNote|Reference Manager|ProCite|BibTeX|RefWorks