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AbstractAbstract
[en] Time-dependent wave packet calculations have been performed for the O(1D) + HBr → BrO + H and O(1D) + HBr → OH + Br reactions. The state-to-state and state-to-all reaction probabilities for total angular momentum J = 0 have been calculated. The probabilities for J > 0 have been estimated from the J = 0 results by using J-shifting approximation based on a capture model. Then, the integral cross-sections and thermal rate constants have been calculated. The calculations show that the initial state-selected reaction probabilities are dominated by resonance structures. The reaction cross-section also manifests resonances and is a decreasing function of the translational energy and the thermal rate constants are not sensitive to the temperature
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S0301-0104(06)00418-6; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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Journal Article
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