TTM2-F model of water: Difference between revisions

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A flexible model of [[water]], see also [[TTM2-R]] for a rigid version.
{{Stub-water}}
A flexible ''ab initio'' model of [[water]].
==See also==
*[[TTM2-R]] - A rigid version.
*[[TTM2.1-F]] - An updated version.
==References==
==References==
#[http://dx.doi.org/10.1063/1.478797    Christian J. Burnham, Jichen Li, Sotiris S. Xantheas and Maurice Leslie "The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters (n=2–21) and the phonon spectrum of ice Ih", Journal of Chemical Physics '''110''' pp. 4566-4581 (1999)]
#[http://dx.doi.org/10.1063/1.1447904      C. J. Burnham and S. S. Xantheas "Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface", Journal of Chemical Physics '''116''' pp. 5115-5124 (2002)]
#[http://dx.doi.org/10.1063/1.1447904      C. J. Burnham and S. S. Xantheas "Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface", Journal of Chemical Physics '''116''' pp. 5115-5124 (2002)]
#[http://dx.doi.org/10.1021/jp056477k George S. Fanourgakis and Sotiris S. Xantheas "The Flexible, Polarizable, Thole-Type Interaction Potential for Water (TTM2-F) Revisited", Journal of Physical Chemistry A '''110''' pp. 4100-4106 (2006)]
[[category: water]]
[[category: water]]
[[category: models]]
[[category: models]]

Latest revision as of 15:51, 23 February 2010