MCY model of water: Difference between revisions
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==References== | ==References== | ||
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'''Related | '''Related reading''' | ||
*[http://dx.doi.org/10.1063/1.432539 George C. Lie, E. Clementi and M. Yoshimine "Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential", Journal of Chemical Physics '''64''' pp. 2314-2323 (1976) ] | *[http://dx.doi.org/10.1063/1.432539 George C. Lie, E. Clementi and M. Yoshimine "Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential", Journal of Chemical Physics '''64''' pp. 2314-2323 (1976)] | ||
*[http://dx.doi.org/10.1063/1.4779295 Tesfaye M. Yigzawe and Richard J. Sadus "Thermodynamic properties of liquid water from a polarizable intermolecular potential", Journal of Chemical Physics '''138''' 044503 (2013)] | |||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Latest revision as of 14:30, 25 April 2013
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The MCY model for water was developed by Matsuoka, Clementi, and Yoshimine [1]. See also the MCYL model, which is an extended version.
MCYna[edit]
MCYna (MCY non-additive) [2]
References[edit]
- ↑ O. Matsuoka, E. Clementi, and M. Yoshimine "CI study of the water dimer potential surface", Journal of Chemical Physics 64 pp. 1351-1361 (1976)
- ↑ Jianhui Li, Zhongwu Zhou, and Richard J. Sadus "Role of nonadditive forces on the structure and properties of liquid water", Journal of Chemical Physics 127 154509 (2007)
Related reading
- George C. Lie, E. Clementi and M. Yoshimine "Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential", Journal of Chemical Physics 64 pp. 2314-2323 (1976)
- Tesfaye M. Yigzawe and Richard J. Sadus "Thermodynamic properties of liquid water from a polarizable intermolecular potential", Journal of Chemical Physics 138 044503 (2013)