Polarization forces in water deduced from single molecule data

Details Polarization forces in water deduced from single molecule data Polarization forces in water deduced from single molecule data

2004-07-08

arxiv.org/abs/physics/0407039v1

Physics

Atomic and Molecular Clusters

4 revtex pages, 3 embedded color PS figures

Scientific paper

10.1103/PhysRevLett.94.013204

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 $\mu_H$, $\mu_O$, and $\theta_O$ and two polarizabilities $\alpha_O$ and $\alpha_H$, which characterize a single water molecule and are deduced from single molecule data.

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