Revelation of non-statistical behavior in HO2 vibration by a new ab initio potential energy surface |
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Authors: | Lin Shi Ying Xie Daiqian Guo Hua |
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Affiliation: | Department of Chemistry, University of New Mexico, Albuquerque, New Mexico 87131, USA. |
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Abstract: | The hydroperoxyl radical (HO2) has long been considered as a prototype for statistical vibrational dynamics. In this work, however, it is shown that the bound state energy levels (up to the dissociation threshold) and low-lying resonances of the HO2 system (J=0) obtained on a new ab initio potential energy surface exhibit surprisingly large regularity. The implications of the non-statistical behavior of the HO2 system in unimolecular and bimolecular reactions are discussed. |
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