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https://scholarbank.nus.edu.sg/handle/10635/94868
| Title: | State-to-state integral cross section for the H + H2O → H2 + OH abstraction reaction | Authors: | Zhang, D.H. Xie, D. Yang, M. Lee, S.-Y. |
Issue Date: | 31-Dec-2002 | Citation: | Zhang, D.H.,Xie, D.,Yang, M.,Lee, S.-Y. (2002-12-31). State-to-state integral cross section for the H + H2O → H2 + OH abstraction reaction. Physical Review Letters 89 (28 I) : 283203/1-283203/4. ScholarBank@NUS Repository. | Abstract: | An overview is given on the first five dimensional (5D) state-to-state integral cross sections (ICS) for the H + H2O → H2(v1,j1)+OH(j2) reaction for the initial ground vibrational state. Since three of the four atoms are hydrogens, the system is an ideal candidate for pursuing both high quality ab initio calculation of a potential energy surface (PES) and accurate quantum reactive scattering calculations. | Source Title: | Physical Review Letters | URI: | http://scholarbank.nus.edu.sg/handle/10635/94868 | ISSN: | 00319007 |
| Appears in Collections: | Staff Publications |
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