TTM3-F model of water: Difference between revisions
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m (New page: {{stub-water}} ==References== #[http://dx.doi.org/10.1063/1.2837299 George S. Fanourgakis and Sotiris S. Xantheas "Development of transferable interaction potentials for water. V. Extensi...) |
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'''TTM3-F''' model of [[water]]<ref>[http://dx.doi.org/10.1063/1.2837299 George S. Fanourgakis and Sotiris S. Xantheas "Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water", Journal of Chemical Physics '''128''' 074506 (2008)]</ref> | |||
==Melting point== | |||
The melting point of the TTM3-F model is 225 K form [[Path integral formulation |quantum simulations]] <ref>[http://dx.doi.org/10.1021/jz100734w Francesco Paesani, Soohaeng Yoo, Huib J. Bakker and Sotiris S. Xantheas "Nuclear Quantum Effects in the Reorientation of Water",Journal of Physical Chemistry Letters '''1''' pp. 2316-2321 (2010)]</ref> | |||
==See also== | |||
*[[TTM2-F]] | |||
*[[TTM2-R]] | |||
*[[TTM2.1]] | |||
*[[TTM2.1-F]] | |||
==References== | ==References== | ||
<references/> | |||
[[category: models]] | [[category: models]] | ||
Latest revision as of 11:59, 20 January 2011
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Melting point[edit]
The melting point of the TTM3-F model is 225 K form quantum simulations [2]
See also[edit]
References[edit]
- ↑ George S. Fanourgakis and Sotiris S. Xantheas "Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water", Journal of Chemical Physics 128 074506 (2008)
- ↑ Francesco Paesani, Soohaeng Yoo, Huib J. Bakker and Sotiris S. Xantheas "Nuclear Quantum Effects in the Reorientation of Water",Journal of Physical Chemistry Letters 1 pp. 2316-2321 (2010)