H. Szichman et al., QUANTUM DYNAMICAL RATE-CONSTANT FOR THE H-3 REACTION USING A 6-DIMENSIONAL DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE REVISITED(O), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(45), 1998, pp. 8909-8912
New quantum dynamics computations of the rate constant for the atmosph
eric reaction H + O-3 --> O-2 + OH are reported. These calculations ha
ve been carried out under the assumption of an atom-to-atom reactive p
rocess scheme rather than on the basis of the global atom-molecule rea
ctive scattering approach reported in a previous paper by the same aut
hors (J. Phys. Chem. 1997, 101, 8817). Agreement with the available cl
assical trajectory results are now notably improved, although the new
theoretical results still continue to agree best with the more recent
experimental data of Clyne and Monkhouse and Greenblatt and Wiesenfeld
for the title reaction.