Editing Water clusters: TIP4P model
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The following | The following clusters are for the classical [[TIP4P | TIP4P model]] of [[water]] at a [[temperature]] of 0K. | ||
The structures and energies shown here were calculated by Dr. Javier Hernández Rojas and [[User:Briesta |Dr. Briesta Sigoñe González González]] of the [http://www.ull.es/ Universidad de La Laguna]. | The structures and energies shown here were calculated by Dr. Javier Hernández Rojas and [[User:Briesta |Dr. Briesta Sigoñe González González]] of the [http://www.ull.es/ Universidad de La Laguna]. | ||
:{| border="2" cellpadding="5" cellspacing="0" | :{| border="2" cellpadding="5" cellspacing="0" | ||
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n=11{{Jmol_general|ClustersTIP4Pn11.xyz|<nowiki> Energy= -431.48994 kJ/mol</nowiki>}} || | n=11{{Jmol_general|ClustersTIP4Pn11.xyz|<nowiki> Energy= -431.48994 kJ/mol</nowiki>}} || | ||
n=12{{Jmol_general|ClustersTIP4Pn12.xyz|<nowiki> Energy= | n=12{{Jmol_general|ClustersTIP4Pn12.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=13{{Jmol_general|ClustersTIP4Pn13.xyz|<nowiki> Energy= | n=13{{Jmol_general|ClustersTIP4Pn13.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
|- | |- | ||
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n=14{{Jmol_general|ClustersTIP4Pn14.xyz|<nowiki> Energy= | n=14{{Jmol_general|ClustersTIP4Pn14.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=15{{Jmol_general|ClustersTIP4Pn15.xyz|<nowiki> Energy= | n=15{{Jmol_general|ClustersTIP4Pn15.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=16{{Jmol_general|ClustersTIP4Pn16.xyz|<nowiki> Energy= | n=16{{Jmol_general|ClustersTIP4Pn16.xyz|<nowiki> Energy= kJ/mol</nowiki>}} |- | ||
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n=17{{Jmol_general|ClustersTIP4Pn17.xyz|<nowiki> Energy= | n=17{{Jmol_general|ClustersTIP4Pn17.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=18{{Jmol_general|ClustersTIP4Pn18.xyz|<nowiki> Energy= | n=18{{Jmol_general|ClustersTIP4Pn18.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=19{{Jmol_general|ClustersTIP4Pn19.xyz|<nowiki> Energy= | n=19{{Jmol_general|ClustersTIP4Pn19.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
|} | |} | ||
==Related reading== | ==Related reading== | ||
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*[http://dx.doi.org/10.1016/S0009-2614(98)00065-7 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)] | *[http://dx.doi.org/10.1016/S0009-2614(98)00065-7 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)] | ||
*[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)] | ||
{{numeric}} | {{numeric}} | ||
[[category: water]] | [[category: water]] | ||
[[category: contains Jmol]] | [[category: contains Jmol]] |