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 ${\mu }_H$, ${\mu }_O$, and ${\theta }_O$ and two polarizabilities ${\alpha }_O$ and ${\alpha }_H$, which characterize a single water molecule and are deduced from single molecule data.

4 revtex pages, 3 embedded color PS figures

References in corpus (2)

• Charge redistribution and polarization energy of organic molecular crystals
• Rules for Minimal Atomic Multipole Expansion of Molecular Fields

Cited by in corpus (3)

• Density, structure and dynamics of water: the effect of Van der Waals interactions
• Laser Induced Selective Alignment of Water Spin Isomers
• Biological Effects of Microwaves: Thermal and nonThermal Mechanisms