Effects of stochastic fluctuations at molecule-electrode contacts in transition voltage spectroscopy

► Work devoted to transition voltage spectroscopy, a hot topic in molecular electronics. ► First theoretical study on the physical origin of stochastic fluctuations in TVS. ► First theoretical study that considers effects of electron correlations on TVS. ► Supporting the idea that the transition voltage is a molecular signature. ► Validation of the Newns-Anderson model for molecular junctions of interest.