title: H+H2 thermal reaction: a convergence of theory and experiment.
abstract: New experimental and theoretical rate constants for two isotopologs of the simplest chemical reaction, H+H2-->H2+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.
authors.affiliation: Pacific Northwest National Laboratory, Richland, Washington 99352-1793, USA.
authors.forename: Steven L
authors.initials: SL
authors.lastname: Mielke
authors.forename: Kirk A
authors.initials: KA
authors.lastname: Peterson
authors.forename: David W
authors.initials: DW
authors.lastname: Schwenke
authors.forename: Bruce C
authors.initials: BC
authors.lastname: Garrett
authors.forename: Donald G
authors.initials: DG
authors.lastname: Truhlar
authors.forename: Joe V
authors.initials: JV
authors.lastname: Michael
authors.forename: Meng-Chih
authors.initials: MC
authors.lastname: Su
authors.forename: James W
authors.initials: JW
authors.lastname: Sutherland