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Exact quantum mechanical reaction probabilities for the collinear H + H2 reaction on a porter-karplus potential energy surface
Authors:James W Duff  Donald G Truhlar
Institution:Chemical Dynamic Laboratory, Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA
Abstract:Exact quantum mechanical calculation of the reaction probability for the collinear H + H2 reaction on a Porter-Karplus potential energy surface are carried out by the finite-difference boundary value method at 6 energes in the threshold region and compared to close coupling, distorted wave, classical S matrix, transition state theory, and vibrational adiabatic calculations.
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