期刊
CHEMICAL PHYSICS LETTERS
卷 385, 期 3-4, 页码 193-197出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2003.12.090
关键词
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Using a Chebyshev wave packet method, initial state specified (nu(i) = 0, j(i) = 0) integral cross-section (over 0-0.9 eV) and rate constant (over 0-1500 K) are obtained for the title reaction on a new potential energy surface that has an accurate representation of the asymptotic regions. All partial wave contributions up to J = 67 were calculated explicitly within the coupled states approximation. The rate constant confirms the validity of quasi-classical trajectory results, and both are in reasonably good agreement with experiment. (C) 2004 Elsevier B.V. All rights reserved.
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