Water clusters: TIP4PQ/2005 model: Difference between revisions

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==Related reading==
==Related reading==
*[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)]


{{numeric}}
{{numeric}}
[[category: water]]
[[category: water]]
[[category: contains Jmol]]
[[category: contains Jmol]]

Revision as of 11:51, 4 February 2010

The following clusters are for the TIP4PQ/2005 model of water at a temperature of 0K. The structures and energies shown here were calculated by 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>ClustersTIP4PQ2005n2.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>ClustersTIP4PQ2005n3.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>ClustersTIP4PQ2005n4.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>ClustersTIP4PQ2005n5.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>ClustersTIP4PQ2005n6.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>ClustersTIP4PQ2005n7.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>ClustersTIP4PQ2005n8.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>ClustersTIP4PQ2005n9.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>ClustersTIP4PQ2005n10.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>ClustersTIP4PQ2005n11.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>ClustersTIP4PQ2005n12.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>ClustersTIP4PQ2005n13.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>ClustersTIP4PQ2005n14.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>ClustersTIP4PQ2005n15.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>ClustersTIP4PQ2005n16.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>ClustersTIP4PQ2005n17.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>ClustersTIP4PQ2005n18.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>ClustersTIP4PQ2005n19.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= kJ/mol

Related reading

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