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Abstract
The ellipsoidal cavity field effect model of Westheimer and Kirkwood for transmission of polar substituent effects is extended to remove the constraint of interacting site-focus coincidence. This allows more rational specification of the geometry of the cavity, and hence of the effective dielectric, based upon physically realistic intermolecular (solute-solvent) distances. Significant improvements in the power of the model are noted upon application to several experimentally studied systems, both in terms of the quality of relative reactivity predictions and in internal self-consistency.
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