THE ORETICAL CALCULATIONS OF THE $H + Br_{2}$ REACTION SURFACE

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Date

1975

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Ohio State University

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Abstract

Molecular beam experiments show that the product angular distribution for the reaction $H + Br_{2}$ is significantly different from those of the lighter halogen reactions. Novel pseudopotential techniques have been employed in the calculation of the potential energy surface for this reaction. The features of this surface are discussed in the light of the experimental results and are compared to a published calculation for the $H + F_{2}$ reaction surface.

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Author Institution: Battelle Memorial Institute, 505 King Avenue; Department of Chemistry, University of Minnesota

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