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高等学校化学研究 ›› 2006, Vol. 22 ›› Issue (5): 663-664.doi:

• Letter • 上一篇    下一篇

Mechanisms and Kinetics of Reactions of the O(1D, 3P)+CF3Cl System

ZHANG Jun, SUN Xiao-min, CAI Zheng-ting and FENG Da-cheng   

  1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P. R. China
  • 收稿日期:2006-01-19 修回日期:1900-01-01 出版日期:2006-09-25 发布日期:2006-09-25
  • 通讯作者: CAI Zheng-ting E-mail:zhtcai@sdu.edu.cn

Mechanisms and Kinetics of Reactions of the O(1D, 3P)+CF3Cl System

ZHANG Jun, SUN Xiao-min, CAI Zheng-ting and FENG Da-cheng
   

  1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P. R. China
  • Received:2006-01-19 Revised:1900-01-01 Online:2006-09-25 Published:2006-09-25
  • Contact: CAI Zheng-ting E-mail:zhtcai@sdu.edu.cn

Abstract: In this study, the global thermal rate constants, as combinations of the individual CVT/SCT rate constants, were calculated by using the CCUS model. All the ab initio calculations were carried out by using the Gaussian 98 program. All the kinetics calculations were carried out by using the POLYRATE 9.0 program.

Key words: CF3Cl+O(1D,3P), Rate constant, CVT/SCT, CCUS