Article ID Journal Published Year Pages File Type
5375153 Chemical Physics 2010 8 Pages PDF
Abstract
It is shown that the most favorable pathway is HCl(g) + H2O(g) + W(1 1 1) → HCl(a) + H2O(a) + W(1 1 1) → TS2 → Cl(a) + H2O(a) + H(a) + W(1 1 1) → TS6 → Cl(a) + OH(a) + 2H(a) + W(1 1 1) → TS9 → Cl(a) + O(a) + 3H(a) + W(1 1 1), and the energy barriers of the aforementioned processes, given in kcal/mol, are 7.62 , 14.67 and 25.48, respectively.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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