Localization-Delocalization Matrices Analysis for Corrosion Inhibition

In this chapter, three case studies will be presented illustrating how to use electron localization-delocalization matrices (LDMs) analysis in the prediction of corrosion inhibitors’ activities. Furthermore, the analysis is shown to go beyond the mere prediction of activity to deepen our mechanistic understanding by uncovering the active molecular species (e.g., the protonation state or dimerizationDimer(ization) state) that are responsible for a given compound’s activity in inhibiting corrosion.