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Mass-Related Dynamical Barriers in Triatomic Reactions

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Abstract.

A methodology is given to determine the effect of different mass distributions for triatomic reactions using the geometry of shape space. Atomic masses are incorporated into the non-Euclidean shape space metric after the separation of rotations. Using the equations of motion in this non-Euclidean shape space, an averaged field of velocity-dependent fictitious forces is determined. This force field, as opposed to the force arising from the potential, dominates branching ratios of isomerization dynamics of a triatomic molecule. This methodology may be useful for qualitative prediction of branching ratios in general triatomic reactions.

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Yanao, T., Koon, W. & Marsden, J. Mass-Related Dynamical Barriers in Triatomic Reactions. Few-Body Systems 38, 161–166 (2006). https://doi.org/10.1007/s00601-005-0138-7

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  • DOI: https://doi.org/10.1007/s00601-005-0138-7

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