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The electrostatic solvent effect was studied with a self\u2010consistent reaction field method in which the solvation energy is obtained using a multipole expansion of the molecular charge distribution. The <jats:italic>ab initio<\/jats:italic> results have been analyzed by means of a theoretical method based on the expansion of the MOs of the supermolecule in terms of those of the reactants and the performance of the configuration analysis. In gas phase, due to the correlation energy and\/or the ZPE corrections, the reaction is predicted to be a one\u2010step process. 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