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Reactive Resonances in N+N2 Exchange ReactionRich reactive resonances are found in a 3D quantum dynamics study of the N + N2 exchange reaction using a recently developed ab initio potential energy surface. This surface is characterized by a feature in the interaction region called Lake Eyring , that is, two symmetric transition states with a shallow minimum between them. An L2 analysis of the quasibound states associated with the shallow minimum confirms that the quasibound states associated with oscillations in all three degrees of freedom in Lake Eyring are responsible for the reactive resonances in the state-to-state reaction probabilities. The quasibound states, mostly the bending motions, give rise to strong reasonance peaks, whereas other motions contribute to the bumps and shoulders in the resonance structure. The initial state reaction probability further proves that the bending motions are the dominating factors of the reaction probability and have longer life times than the stretching motions. This is the first observation of reactive resonances from a "Lake Eyring" feature in a potential energy surface.
Document ID
20030071267
Acquisition Source
Ames Research Center
Document Type
Preprint (Draft being sent to journal)
Authors
Wang, Dunyou (Eloret Corp. CA, United States)
Huo, Winifred M. (NASA Ames Research Center Moffett Field, CA, United States)
Dateo, Christopher E. (Eloret Corp. CA, United States)
Schwenke, David W. (NASA Ames Research Center Moffett Field, CA, United States)
Stallcop, James R. (NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
September 7, 2013
Publication Date
May 15, 2003
Subject Category
Energy Production And Conversion
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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