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# E3B water model

Revision as of 15:04, 15 June 2016 by Carl McBride (talk | contribs) (opened E3B2 and E3B3 sections)

The **E3B** (explicit three-body) model^{[1]}^{[2]} of water.

## Contents

## Parameters[edit]

The E3B potential is given by

where

where represents the TIP4P model of water,
kJ/mol, Å^{-1},
and

where kJ/mol, kJ/mol, and kJ/mol.

## E3B2[edit]

^{[3]}

## E3B3[edit]

^{[4]}

## References[edit]

- ↑ R. Kumar and J. L. Skinner "Water Simulation Model with Explicit Three-Molecule Interactions", The Journal of Physical Chemistry B
**112**pp. 8311-8318 (2008) - ↑ C. J. Tainter, P. A. Pieniazek, Y.-S. Lin, and J. L. Skinner "Robust three-body water simulation model", Journal of Chemical Physics
**134**184501 (2011) - ↑ Craig J. Tainter, Liang Shi, and James L. Skinner "Reparametrized E3B (Explicit Three-Body) Water Model Using the TIP4P/2005 Model as a Reference", Journal of Chemical Theory and Computation
**11**pp. 2268-2277 (2015) - ↑ Yicun Ni and J. L. Skinner "Evidence for a liquid-liquid critical point in supercooled water within the E3B3 model and a possible interpretation of the kink in the homogeneous nucleation line", Journal of Chemical Physics
**144**214501 (2016)