Single molecule dynamics of three body water
- 15 September 1986
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 85 (6) , 3544-3549
- https://doi.org/10.1063/1.450926
Abstract
The effects of three body forces on the single molecule dynamical properties of liquid water are studied by molecular dynamics using a b i n i t i o two body and three body potential models. The molecule’s motion within the cage of neighbors becomes faster while the overall molecular diffusion and reorientation becomes slower. The latter brings the simulated NMRrelaxation time into good agreement with experiment.Keywords
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