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À propos de : The Theory of Electron Transfer Reactions: What May BeMissing?        

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  • The Theory of Electron Transfer Reactions: What May BeMissing?
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  • Molecular dynamics simulations are presented for condensed-phase electron transfer (ET)systems where the electronic polarizability of both the solvent and the solute is incorporated. The solutepolarizability is allowed to change with electronic transition. The results display notable deviation from thestandard free energy parabolas of traditional ET theories. A new three-parameter ET model is applied,and the theory is shown to accurately model the free energy surfaces. This paper presents conclusiveevidence that the traditional theory for the free energy barrier of ET reactions requires modification.
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