Water clusters: TIP5P model: Difference between revisions

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m (added bibliography)
m (adding TIP5P structures and energies)
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n=2{{Jmol_general|ClustersTIP5Pn2.xyz|<nowiki> Energy= kJ/mol</nowiki>}} ||   
n=2{{Jmol_general|ClustersTIP5Pn2.xyz|<nowiki> Energy= -28.38784 kJ/mol</nowiki>}} ||   
n=3{{Jmol_general|ClustersTIP5Pn3.xyz|<nowiki> Energy= kJ/mol</nowiki>}} ||
n=3{{Jmol_general|ClustersTIP5Pn3.xyz|<nowiki> Energy= -62.72759 kJ/mol</nowiki>}} ||
n=4{{Jmol_general|ClustersTIP5Pn4.xyz|<nowiki> Energy= kJ/mol</nowiki>}}
n=4{{Jmol_general|ClustersTIP5Pn4.xyz|<nowiki> Energy= -118.95539 kJ/mol</nowiki>}}
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n=5{{Jmol_general|ClustersTIP5Pn5.xyz|<nowiki> Energy= kJ/mol</nowiki>}} ||   
n=5{{Jmol_general|ClustersTIP5Pn5.xyz|<nowiki> Energy= -159.50193 kJ/mol</nowiki>}} ||   
n=6{{Jmol_general|ClustersTIP5Pn6.xyz|<nowiki> Energy=  kJ/mol</nowiki>}} ||
n=6{{Jmol_general|ClustersTIP5Pn6.xyz|<nowiki> Energy=  kJ/mol</nowiki>}} ||
n=7{{Jmol_general|ClustersTIP5Pn7.xyz|<nowiki> Energy=  kJ/mol</nowiki>}}  
n=7{{Jmol_general|ClustersTIP5Pn7.xyz|<nowiki> Energy=  kJ/mol</nowiki>}}  

Revision as of 12:01, 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= -28.38784 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= -62.72759 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= -118.95539 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= -159.50193 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

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