Polarization forces in water deduced from single molecule data

Abstract

Intermolecular polarization interactions in water are determined using a minimal atomic multipole model constructed with distributed polarizabilities. Hydrogen bonding and other properties of water-water interactions are reproduced to fine detail by only three multipoles μH, μO, and θO and two polarizabilities αO and αH, which characterize a single water molecule and are deduced from single molecule data.

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