期刊
PHYSICAL REVIEW LETTERS
卷 91, 期 6, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.91.063201
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New experimental and theoretical rate constants for two isotopologs of the simplest chemical reaction, H+H-2-->H-2+H, are presented. The theoretical results are obtained using accurate quantum dynamics with a converged Born-Oppenheimer potential energy surface and include non-Born-Oppenheimer corrections. The new experiments are carried out using a shock tube and complement earlier investigations over a very large T range, 167 to 2112 K. Experiment and theory now agree perfectly, within experimental error, bringing this 75-year-old scientific problem to completion.
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