Water clusters: TIP5P model: Difference between revisions

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==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://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)]
*[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)]
{{numeric}}
[[category: water]]
[[category: water]]
[[category: contains Jmol]]
[[category: contains Jmol]]

Revision as of 11:43, 30 September 2009

The following clusters are for the classical TIP5P model of water at a temperature of 0K. The structures and energies shown here were calculated by Dr. Javier Hernández Rojas and Dr. Briesta Sigoñe González González of the Universidad de La Laguna.

n=2

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn2.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=3

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn3.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=4

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn4.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=5

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn5.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=6

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn6.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=7

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn7.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=8

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn8.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=9

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn9.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=10

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn10.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=11

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn11.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=12

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn12.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=13

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn13.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=14

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn14.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=15

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn15.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=16

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn16.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=17

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn17.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=18

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn18.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

n=19

<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP5Pn19.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

Related reading

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