| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386360 | Chemical Physics Letters | 2009 | 6 Pages |
Abstract
The rate constants for the concerted exchange reaction of the small cyclic water clusters (H2O)n(3, 4) were calculated with the YL method. The anharmonic effect on the concerted hydrogen exchange reaction was investegated. The results are in reasonable agreement with the results given by Loerting et al. And the anharmonic effect is not significant for the concerted hydrogen exchange reaction of (H2O)n(3, 4) . The YL method is suitable for calculating the rate constants of such small cyclic water cluster.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Ying Shao, Li Yao, Sheng-Hsien Lin,