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Science 20 July 1990:
Vol. 249. no. 4966, pp. 269 - 271
DOI: 10.1126/science.249.4966.269
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Articles

Theoretical and Experimental Rate Constants for Two Isotopic Modifications of the Reaction H + H2

Joe V. Michael 1, J. Robert Fisher 1, Joel M. Bowman 2, and Qiyan Sun 2

1 Chemistry Division, Argonne National Laboratory, Argonne, IL 60439
2 Department of Chemistry, Emory University, Atlanta, GA 30322

Theoretical rate constants for two isotopic modifications of the simplest possible chemical reaction, namely, H + D2 rarr HD + D and D + H2 rarr HD + H, are presented. Experimental results, which have previously been obtained in the higher temperature regime by a shock tube technique, are combined with lower temperature results to give an experimental determination of the rate behavior over the large temperature range sim200 to 2000 K. It is now possible to assess the accuracy of ab initio potential energy surface calculations and to judge theoretical chemical kinetic methods.


THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
State-to-State Rates for the D + H2(v = 1, j = 1) rarr HD(v', j') + H Reaction: Predictions and Measurements.
D. Neuhauser, R. S. Judson, D. J. Kouri, D. E. Adelman, N. E. Shafer, D. A. V. Kliner, and R. N. Zare (1992)
Science 257, 519-522
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Science. ISSN 0036-8075 (print), 1095-9203 (online)