Total reaction probabilities for the O + D2 reaction at J = 0 (black line) and J = 40 (red line) partial waves.
Energy dependence of the initial state specified integral cross sections. (QCT result of 1A ′: pink squares, QM result of 1A ′′: green triangles, QCT result of 2A ′: blue circle).15 The dashed line is the experiment measurements of total ICS.40
The temperature dependence of rate constants compared with experiment results.40–42
Temperature dependence of kinetic isotope effect k(D)/k(H).
Numerical parameters used in the wave packet calculation (in atomic units, unless otherwise stated).
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