The role of microscopic solvation in the association reaction I–Ar12+I

1 December 1992

journal article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 97 (11) , 8805-8808
https://doi.org/10.1063/1.463351

Abstract

Molecular dynamics investigation of a prototypical model reaction I–Arn(n=12)+I reveals the role of microscopic solvation in association reactions: (a) enhancement of capture cross section of the incident I atom; (b) mediation of the migration of I to form I2; and (c) stabilization of I2 product by evaporative cooling.

Keywords

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