Water clusters: TIP4PQ/2005 model
The following clusters are for the TIP4PQ/2005 model of water at a temperature of 0K [1] 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= -7.516097 kcal/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= -20.165246 kcal/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= -33.583716 kcal/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= -43.774120 kcal/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= -57.033936 kcal/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= -70.235516 kcal/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= -88.149828 kcal/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= -99.295294 kcal/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= -112.754416 kcal/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= -124.403343 kcal/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= -142.200360 kcal/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= -153.777067 kcal/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= -168.135590 kcal/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= -181.161995 kcal/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= -196.514098 kcal/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= -208.809158 kcal/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= -223.035394 kcal/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= -236.769564 kcal/mol Related reading[edit]