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|Title:||Breakdown of the spectator model for the OH bonds in studying the H + H2O reaction|
|Authors:||Zhang, D.H. |
|Source:||Zhang, D.H.,Yang, M.,Lee, S.Y. (2002-09-02). Breakdown of the spectator model for the OH bonds in studying the H + H2O reaction. Physical Review Letters 89 (10) : 1032011-1032014. ScholarBank@NUS Repository.|
|Abstract:||The six-dimensional quantum dynamics study of the H+H2O reaction was reported by treating both OH bonds in the H2O reactant as reactive bonds. It was found that OH bond in the H2O reactant should be treated as reactive bonds to accurately investigate the exchange process. The results showed that the motion of one OH bond can be expanded by using a few vibrational basis functions.|
|Source Title:||Physical Review Letters|
|Appears in Collections:||Staff Publications|
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