THE TST-CEQ CALCULATIONS ON THE HEAVY-LIGHT-HEAVY C1 + HCL REACTION

In this paper, the TST–CEQ calculated results including the reactive cross sections and rate constants for the Cl + HCl reaction at the specified vibrational state of the HCl are presented. It is shown that the oscillatory behavior of the system in the three‐dimensional world does not appear, and the larger the vibrational quantum number of HCl, the smaller the cross sections ¯QTST–CEQ (E, ν) are at a given total energy used in the calculations, but the larger the reactive rate, constants KTST–CEQ (T, ν) are at a given temperature. The KTST–CEQ (T, v) is the same as when first published, and the average reactive rate constants KTST–CEQ (T) are close to the ones by Garrett and Schatz et al. Copyright © 1990 John Wiley & Sons, Inc.