Quasi-classical dynamics calculations and state-selected rate coefficientsfor H+H-2(upsilon,j)-> 3H processes: application to the global dissociation rate under thermal conditions
F. Esposito et al., Quasi-classical dynamics calculations and state-selected rate coefficientsfor H+H-2(upsilon,j)-> 3H processes: application to the global dissociation rate under thermal conditions, CHEM P LETT, 303(5-6), 1999, pp. 636-640
The quasi-classical trajectory method has been applied to the calculation o
f a complete set of cross-sections for the H + H-2(upsilon,j) --> 3H proces
ses, using the LSTH potential energy surface. The results have been used to
get the global dissociation rate of molecular hydrogen induced by atomic h
ydrogen, obtaining good agreement with experimental results. (C) 1999 Elsev
ier Science B.V. All rights reserved.