Editing Water clusters: TIP5P model
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The following | The following clusters are for the classical [[TIP5P | TIP5P 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]. | ||
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n=8{{Jmol_general|ClustersTIP5Pn8.xyz|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} || | n=8{{Jmol_general|ClustersTIP5Pn8.xyz|<nowiki> Energy= -303.19838 kJ/mol</nowiki>}} || | ||
n=9{{Jmol_general|ClustersTIP5Pn9.xyz|<nowiki> Energy= -349.53997 kJ/mol</nowiki>}} || | n=9{{Jmol_general|ClustersTIP5Pn9.xyz|<nowiki> Energy= -349.53997 kJ/mol</nowiki>}} || | ||
n=10{{Jmol_general|ClustersTIP5Pn10.xyz|<nowiki> Energy= | n=10{{Jmol_general|ClustersTIP5Pn10.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
|- | |- | ||
| | | | ||
n=11{{Jmol_general|ClustersTIP5Pn11.xyz|<nowiki> Energy= | n=11{{Jmol_general|ClustersTIP5Pn11.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=12{{Jmol_general|ClustersTIP5Pn12.xyz|<nowiki> Energy= | n=12{{Jmol_general|ClustersTIP5Pn12.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=13{{Jmol_general|ClustersTIP5Pn13.xyz|<nowiki> Energy= | n=13{{Jmol_general|ClustersTIP5Pn13.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
|- | |- | ||
| | | | ||
n=14{{Jmol_general|ClustersTIP5Pn14.xyz|<nowiki> Energy= | n=14{{Jmol_general|ClustersTIP5Pn14.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=15{{Jmol_general|ClustersTIP5Pn15.xyz|<nowiki> Energy= | n=15{{Jmol_general|ClustersTIP5Pn15.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=16{{Jmol_general|ClustersTIP5Pn16.xyz|<nowiki> Energy= | n=16{{Jmol_general|ClustersTIP5Pn16.xyz|<nowiki> Energy= kJ/mol</nowiki>}} |- | ||
|- | |||
| | | | ||
n=17{{Jmol_general|ClustersTIP5Pn17.xyz|<nowiki> Energy= | n=17{{Jmol_general|ClustersTIP5Pn17.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=18{{Jmol_general|ClustersTIP5Pn18.xyz|<nowiki> Energy= | n=18{{Jmol_general|ClustersTIP5Pn18.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=19{{Jmol_general|ClustersTIP5Pn19.xyz|<nowiki> Energy= | n=19{{Jmol_general|ClustersTIP5Pn19.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
|} | |} | ||
==Related reading== | ==Related reading== | ||
* [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 | * [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 Letter, 415, 302 (2005)] | ||
[[category: water]] | [[category: water]] | ||
[[category: contains Jmol]] | [[category: contains Jmol]] |