Polarization forces in water deduced from single molecule data.
The intermolecular electrostatic and 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 by only three multipoles mu(H), mu(O), and theta(O) and two polarizabilities alpha(O) and alpha(H), which characterize a single water molecule and are deduced from single-molecule data.
Tsiper
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School of Computational Sciences, George Mason University, Fairfax, VA 22030, USA. etsiper@gmu.edu