Induced-Polarization Energy Map:  A Helpful Tool for Predicting Geometric Features of Anion-π Complexes.

Abstract

In this manuscript we propose the use of a new tool that we have found useful to predict the geometries of ion-π complexes. This tool is entitled the Induced-Polarization Energy map (IPE map). The novelty of this representation is that in the map only the contribution of the ion-induced polarization term to the total interaction energy for a given… (More)
DOI: 10.1021/ct700122y

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