Chin. Phys. Lett.  1994, Vol. 11 Issue (12): 730-733    DOI:
Original Articles |
Cumulative Reaction Probabilities of Cl+H2 from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant
ZHAO Meishan (Meishan ZHAO)
The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA
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ZHAO Meishan (Meishan ZHAO) 1994 Chin. Phys. Lett. 11 730-733
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Abstract We report the cumulative reaction probabilities (CRP) of the three-dimensional Cl+H2 → H+HCl calculated on the Stern-Persky-Klein potential energy surface, using the generalized Newton variational principle, for total angular momentum J =0, over a total reaction energy range from 9 to 19 kcal/mol. The relation between CRP and reaction rate constants, as well as the calculation for complete reaction rates (summed over all J), bypassing the direct calculation of the CRP's for J>0, are also discussed.

Keywords: 34.50.Lf      31.15.+q     
Published: 01 December 1994
PACS:  34.50.Lf (Chemical reactions)  
  31.15.+q  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y1994/V11/I12/0730
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