Title of article :
A quantum scattering study of the collinear state-to-state reaction probabilities for the F+H2(0)→HF(v′)+H system on a new potential energy surface
Author/Authors :
Ma، نويسنده , , Wan-Yong and Cai، نويسنده , , Zheng-Ting and Deng، نويسنده , , Cong-Hao، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1999
Abstract :
A new quantum scattering approach, linear combination of arrangement channels–scattering wavefunction (LCAC–SW) proposed by Deng and co-workers [Sci. China B 24 (1994) 463] is used to calculate the collinear state-to-state reaction probabilities for the F+H2(0)→HF(v′)+H system on the 6SEC potential energy surface (PES). The calculated results reflect the character of PES accurately (there is a `shallow hollowʹ along the reaction coordinate on the 6SEC potential energy surface). They are compared with other theoretical research reported in the literature. It is shown that the LCAC–SW approach is one of the successful quantum scattering methods.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters