In the process of searching for stable redox shuttles for overcharge protection in Li ion cells, Wang and Dahn have developed a computational model to study the stability of the redox shuttles. In this model the reactivity of a redox shuttle, defined by the binding energy E-b(ER) of the redox shuttle cation in a model reaction with the ethyl radical, ER, is used to relate to the stability of the redox shuttle. In this work, we will present the correlation of the calculated E-b(ER) values with the experimental stability of redox shuttles in Li ion cells for three categories of molecules: the benzene derivatives, the 10-methylphenothiazine (MPT) - like molecules and the molecules with a nitrogen atom as the redox center. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.034210jes] All rights reserved.