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- W2082573839 abstract "By exciting the rotational modes of vibrationally excited CHD3(v1 = 1, JK), the reactivity for the Cl + CHD3 → HCl + CD3 reaction is observed enhanced by as much as a factor of two relative to the rotationless reactant. To understand the mode specificity, the reaction dynamics was studied using both a reduced-dimensional quantum dynamical model and the conventional quasi-classical trajectory method, both of which reproduced qualitatively the measured enhancements. The mechanism of enhancement was analyzed using a Franck-Condon model and by inspecting trajectories. It is shown that the higher reactivity for higher J states of CHD3 with K = 0 can be attributed to the enlargement of the cone of acceptance. On the other hand, the less pronounced enhancement for the higher J = K states is apparently due to the fact that the rotation along the C–H bond is less effective in opening up the cone of acceptance." @default.
- W2082573839 created "2016-06-24" @default.
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- W2082573839 date "2014-08-18" @default.
- W2082573839 modified "2023-09-23" @default.
- W2082573839 title "Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction" @default.
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- W2082573839 doi "https://doi.org/10.1063/1.4892598" @default.
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