Cumulative Reaction Probabilities of Cl+H<suB>2</suB> from Quantum Scattering Calculations and Evaluation of Thermal Rate Constant

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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