The quasi-classical trajectory method has been applied to the calculation of a complete set of cross-sections for the H+H2(v,j)->3H processes, using the LSTH potential energy surface. The results have been used to get the global dissociation rate of molecular hydrogen induced by atomic hydrogen, obtaining good agreement with experimental results.
Quasi-classical dynamics calculations and state-selected rate coefficients for H+ H2 (v, j)-> 3H processes: application to the global dissociation rate under thermal conditions
Esposito F;
1999
Abstract
The quasi-classical trajectory method has been applied to the calculation of a complete set of cross-sections for the H+H2(v,j)->3H processes, using the LSTH potential energy surface. The results have been used to get the global dissociation rate of molecular hydrogen induced by atomic hydrogen, obtaining good agreement with experimental results.File in questo prodotto:
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