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Published June 2006 | public
Journal Article

Mass-Related Dynamical Barriers in Triatomic Reactions

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.

Additional Information

© 2006 Springer. Article based on the presentation by T. Yanao at the Fourth Workshop on the Dynamics and Structure of Critically Stable Quantum Few-Body Systems, MPIPKS, Dresden, Germany, 2005. This work was partially supported by NSF-ITR grant ACI-0204932, ICB-ARO grant DAAD19-03-D-0004, NSF-DMS-0505711, and JSPS Research Fellowships.

Additional details

Created:
August 19, 2023
Modified:
October 20, 2023