Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375153 | Chemical Physics | 2010 | 8 Pages |
Abstract
It is shown that the most favorable pathway is HCl(g) + H2O(g) + W(1 1 1) â HCl(a) + H2O(a) + W(1 1 1) â TS2 â Cl(a) + H2O(a) + H(a) + W(1 1 1) â TS6 â Cl(a) + OH(a) + 2H(a) + W(1 1 1) â TS9 â 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
Authors
Hsin-Tsung Chen, Hui-Lung Chen,