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Volume 83, 1987
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Trajectory simulation studies of diffusion-controlled reactions

Abstract

Computer simulations of the Brownian trajectories of reactant molecules in solution can be used to calculate the rates of diffusion-controlled reactions. This paper presents new derivations of some of the basic equations used in such calculations and the results of applications to two problems from biology.

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Article type: Paper
DOI: 10.1039/DC9878300213
Citation: Faraday Discuss. Chem. Soc., 1987,83, 213-222
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    Trajectory simulation studies of diffusion-controlled reactions

    J. A. McCammon, R. J. Bacquet, S. A. Allison and S. H. Northrup, Faraday Discuss. Chem. Soc., 1987, 83, 213
    DOI: 10.1039/DC9878300213

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