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In this Demonstration, a model potential energy surface developed by London, Eyring, Polyani, and Sato (LEPS) is used to describe the collinear ... chemical reaction. The particular parameterization is the "Muckerman V" potential. This potential surface is shown as a contour plot. The coordinates are the ... and ... bond lengths. The reaction proceeds with ... being large and ... being the equilibrium bond-length of ... The reaction path (which follows the contour minimum) connects the reactant channel to the product channel. These are separated by a saddle point that gives the configuration of the activated complex or transition state ... which has energy ... -357.13 kcal/mol. We use Newton's equations of motion to describe the collinear ... chemical reaction. The contour plot shows the Muckerman V potential describing this reaction and the thick black line is a scattering trajectory. By varying the angle ... , one selects how the initial kinetic energy is partitioned between the kinetic energy of the incoming fluorine atom and the vibrational kinetic energy of the ... molecule. This demonstrates the influence of energy distribution amongst reactants in a given chemical reaction.

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      EUN,LOM,LRE4,work-cmr-id:397018,http://demonstrations.wolfram.com:http://demonstrations.wolfram.com/ReactiveScatteringOnALEPSSurface/,ilox,learning resource exchange,LRE metadata application profile,LRE

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