Water clusters: Difference between revisions
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*[[Water clusters: TIP4P/2005 model | TIP4P/2005 model]] | *[[Water clusters: TIP4P/2005 model | TIP4P/2005 model]] | ||
*[[Water clusters: TIP4PQ/2005 model | TIP4PQ/2005 model]] | *[[Water clusters: TIP4PQ/2005 model | TIP4PQ/2005 model]] | ||
*[[Water clusters: q-TIP4P/F model | q-TIP4P/F model ]] | |||
*[[Water clusters: TIP5P model | TIP5P model]] | *[[Water clusters: TIP5P model | TIP5P model]] | ||
==Related reading== | ==Related reading== | ||
*[http://www3.interscience.wiley.com/journal/48543/abstract J. A. Niesse and Howard R. Mayne "Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method", Journal of Computational Chemistry '''18''' pp. 1233-1244 (1997)] | *[http://www3.interscience.wiley.com/journal/48543/abstract J. A. Niesse and Howard R. Mayne "Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method", Journal of Computational Chemistry '''18''' pp. 1233-1244 (1997)] | ||
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*[http://dx.doi.org/10.1021/jp027783q H. Kabrede and R. Hentschke "Global Minima of Water Clusters (H2O)N, N ≤ 25, Described by Three Empirical Potentials", Journal of Physical Chemistry B '''107''' pp. 3914-3920 (2003)] | *[http://dx.doi.org/10.1021/jp027783q H. Kabrede and R. Hentschke "Global Minima of Water Clusters (H2O)N, N ≤ 25, Described by Three Empirical Potentials", Journal of Physical Chemistry B '''107''' pp. 3914-3920 (2003)] | ||
*[http://dx.doi.org/10.1016/j.cplett.2005.09.019 T. James, D. J. Wales and J. Hernández-Rojas " Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential", Chemical Physics Letters '''415''' pp. 302-307 (2005)] | *[http://dx.doi.org/10.1016/j.cplett.2005.09.019 T. James, D. J. Wales and J. Hernández-Rojas " Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential", Chemical Physics Letters '''415''' pp. 302-307 (2005)] | ||
*[http://dx.doi.org/10.1021/jp910770y Briesta S. González, Eva G. Noya, Carlos Vega and Luis M. Sesé "Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility", Journal of Physical Chemistry B (Article ASAP) (2010)] | |||
==External links== | ==External links== | ||
*[http://www-wales.ch.cam.ac.uk/CCD.html The Cambridge Cluster Database] | *[http://www-wales.ch.cam.ac.uk/CCD.html The Cambridge Cluster Database] | ||
[[category: water]] | [[category: water]] | ||
Latest revision as of 12:24, 5 February 2010
Global minima structures[edit]
The following are pages of results for a number of water models. Note: these links lead to pages that contain several Java applets that may take a while to load.
Related reading[edit]
- J. A. Niesse and Howard R. Mayne "Global optimization of atomic and molecular clusters using the space-fixed modified genetic algorithm method", Journal of Computational Chemistry 18 pp. 1233-1244 (1997)
- David J. Wales and Matthew P. Hodges "Global minima of water clusters (H2O)n, n≤21, described by an empirical potential", Chemical Physics Letters 286 pp. 65-72 (1998)
- H. Kabrede and R. Hentschke "Global Minima of Water Clusters (H2O)N, N ≤ 25, Described by Three Empirical Potentials", Journal of Physical Chemistry B 107 pp. 3914-3920 (2003)
- T. James, D. J. Wales and J. Hernández-Rojas " Global minima for water clusters (H2O)n, n ≤ 21, described by a five-site empirical potential", Chemical Physics Letters 415 pp. 302-307 (2005)
- Briesta S. González, Eva G. Noya, Carlos Vega and Luis M. Sesé "Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility", Journal of Physical Chemistry B (Article ASAP) (2010)