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- W2049235764 abstract "Abstract An application of the polarizable continuum solvent model to the Fe 2+ /Fe 3+ electron exchange reaction in water is presented. The model accounts for the internal energy of the ions, and the electrostatic and repulsion terms of the solute-solvent interaction. By describing all the solvent motions with only two geometrical parameters, one finds an activation energy in good agreement with experimental values; the model provides a simple and coherent description of the diffusion and activation steps of the reaction, and a way of directly calculating a quantity that appears in the expression of electronic transmission factor." @default.
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- W2049235764 date "1994-07-01" @default.
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- W2049235764 title "A simple solvent model for electron transfer reactions." @default.
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