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- W2116773003 abstract "The reactivity dependence on the k, j vector correlation for the title reaction is studied for j=1, 2, 3 by a quantum wavepacket method in a large range of translational energy on a recently obtained 3A″ adiabatic potential energy surface. It is found that the reaction is extraordinarily enhanced when initially k and j are perpendicular, or equivalently, when the OH internuclear vector is parallel to the initial relative velocity in the rotating body-fixed plane. Such a result is interpreted in terms of the kinematic constraints imposed by the small skew angle in heavy–light + heavy reactions, being a general situation in this kind of HL + H → H + LH reactions. The total reaction cross-sections obtained are in rather good agreement with quasiclassical results, especially as j increases. Finally, the rate constants obtained are compared with available experimental data at nearly room temperature." @default.
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- W2116773003 date "2004-11-10" @default.
- W2116773003 modified "2023-10-17" @default.
- W2116773003 title "Quantum stereodynamics of the F+OH(<i>v</i>, <i>j</i>) reactive collision on the 1<sup>3</sup>A″ state" @default.
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- W2116773003 doi "https://doi.org/10.1080/00268970412331318831" @default.
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