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Vibrational Relaxation of Highly Vibrationally Excited O3 in Collisions with OH
Zhang, Lei; Luo, Pingya; Huang, Zhiyu; Chen, Hong; Varandas, António J. C.We report a theoretical study of highly excited O3 in collisions with vibrationally cold OH. Special emphasis is placed on initial vibrational energies of O3 between 9 and 21 kcal mol−1. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface for HO4(2A). Many aspects of the title relaxation process are presented. The results indi...
Dynamics Study of the OH + O3 Atmospheric Reaction with Both Reactants Vibratio...
Zhang, Lei; Luo, Pingya; Huang, Zhiyu; Varandas, António J. C.The dynamics of the title five-atom atmospheric reaction is studied by the quasiclassical trajectory method for vibrational states of OH over the range 2 ≤ v ≤ 9 and initial vibrational energies of O3 between 9 and 21 kcal mol-1 using a previously reported double many-body expansion potential energy surface for HO4(2A). The results show that the reaction is controlled by both capture- and barrier-type mechanism...
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