[Formula presented] Thermal Reaction: A Convergence of Theory and Experiment

Steven L. Mielke, Kirk A. Peterson, David W. Schwenke, Bruce C. Garrett, Donald G. Truhlar, Joe V. Michael, Meng Chih Su, James W. Sutherland

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


New experimental and theoretical rate constants for two isotopologs of the simplest chemical reaction, [Formula presented], 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 [Formula presented] range, 167 to 2112 K. Experiment and theory now agree perfectly, within experimental error, bringing this 75-year-old scientific problem to completion.

Original languageEnglish (US)
JournalPhysical review letters
Issue number6
StatePublished - Aug 7 2003


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