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Mechanism and control of the F+H2 reaction at low and ultralow collision energies
Authors:Aldegunde J  Alvariño J M  de Miranda M P  Sáez Rábanos V  Aoiz F J
Institution:Departamento de Química Física, Facultad de Ciencias Químicas, Universidad de Salamanca, 37008 Salamanca, Spain.
Abstract:This article uses theoretical methods to study the dependence on stereodynamical factors of the mechanism and reactivity of the F+H2 reaction at low and ultralow collision energies. The impact of polarization of the H2 reactant on total and state-to-state integral and differential cross sections is analyzed. This leads to detailed pictures of the reaction mechanism in the cold and ultracold regimes, accounting, in particular, for distinctions associated with the various product states and scattering angles. The extent to which selection of reactant polarization allows for external control of the reactivity and reaction mechanism is assessed. This reveals that even the simplest of reactant polarization schemes allows for fine, product state-selective control of differential and (for reactions involving more than a single, zero orbital angular momentum partial wave) integral cross sections.
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