Reaction and dissociation mechanism control: the H2 + H2 system†
Abstract
Extensive quasiclassical calculations have been performed in order to obtain a priori estimates of the reaction and dissociation rate coefficients of the H2 + H2 system and its isotopic variants. To understand the nature of the dissociation process and the mechanisms controlling it we have also calculated its state specific cross sections and probabilities in full and reduced dimension. A graphical inspection of the trajectories leading to dissociation has evidenced a gradual evolution of the dissociation mechanism from recoil to insertion.
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