6-Electron exchange function as a simple estimator of aromaticity in large polyaromatic hydrocarbons

The 6-electron exchange function (6-EEF) is defined and calculated for a series of large polyaromatic hydrocarbons (PAHs). The 6-EEF, computed at selected points in space, is able to reproduce in PAHs the multicenter electron delocalization without using any atomic partitioning scheme.