CRCU

Chemical Research in Chinese Universities ›› 2006, Vol. 22 ›› Issue (5): 663-664.doi:

• Letter • Previous Articles     Next Articles

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