Water clusters: TIP4P model: Difference between revisions

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m (adding TIP4P structures and energies)
(adding TIP4P structures and energies)
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n=11{{Jmol_general|ClustersTIP4Pn11.xyz|<nowiki> Energy= -431.48994 kJ/mol</nowiki>}} ||   
n=11{{Jmol_general|ClustersTIP4Pn11.xyz|<nowiki> Energy= -431.48994 kJ/mol</nowiki>}} ||   
n=12{{Jmol_general|ClustersTIP4Pn12.xyz|<nowiki> Energy= -492.90925 kJ/mol</nowiki>}} ||
n=12{{Jmol_general|ClustersTIP4Pn12.xyz|<nowiki> Energy= -492.90925 kJ/mol</nowiki>}} ||
n=13{{Jmol_general|ClustersTIP4Pn13.xyz|<nowiki> Energy= kJ/mol</nowiki>}}  
n=13{{Jmol_general|ClustersTIP4Pn13.xyz|<nowiki> Energy= -532.97162 kJ/mol</nowiki>}}  
|-  
|-  
|
|
n=14{{Jmol_general|ClustersTIP4Pn14.xyz|<nowiki> Energy= kJ/mol</nowiki>}} ||   
n=14{{Jmol_general|ClustersTIP4Pn14.xyz|<nowiki> Energy= -582.99227 kJ/mol</nowiki>}} ||   
n=15{{Jmol_general|ClustersTIP4Pn15.xyz|<nowiki> Energy= kJ/mol</nowiki>}} ||
n=15{{Jmol_general|ClustersTIP4Pn15.xyz|<nowiki> Energy= -628.37352 kJ/mol</nowiki>}} ||
n=16{{Jmol_general|ClustersTIP4Pn16.xyz|<nowiki> Energy= kJ/mol</nowiki>}} |-  
n=16{{Jmol_general|ClustersTIP4Pn16.xyz|<nowiki> Energy= -681.19401 kJ/mol</nowiki>}} |-  
|
|
n=17{{Jmol_general|ClustersTIP4Pn17.xyz|<nowiki> Energy= kJ/mol</nowiki>}} ||   
n=17{{Jmol_general|ClustersTIP4Pn17.xyz|<nowiki> Energy= -723.80925 kJ/mol</nowiki>}} ||   
n=18{{Jmol_general|ClustersTIP4Pn18.xyz|<nowiki> Energy= kJ/mol</nowiki>}} ||
n=18{{Jmol_general|ClustersTIP4Pn18.xyz|<nowiki> Energy= -773.23345 kJ/mol</nowiki>}} ||
n=19{{Jmol_general|ClustersTIP4Pn19.xyz|<nowiki> Energy= kJ/mol</nowiki>}}  
n=19{{Jmol_general|ClustersTIP4Pn19.xyz|<nowiki> Energy= -821.03860 kJ/mol</nowiki>}}  
|}
|}
==Related reading==
==Related reading==

Revision as of 10:13, 30 September 2009

The following clusters are for the classical TIP4P 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>ClustersTIP4Pn2.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -26.08762 kJ/mol

n=3

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn3.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -69.99403 kJ/mol

n=4

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn4.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -116.59062 kJ/mol

n=5

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn5.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -152.10925 kJ/mol

n=6

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn6.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -197.78092 kJ/mol

n=7

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn7.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -243.57287 kJ/mol

n=8

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn8.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -305.51893 kJ/mol

n=9

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn9.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -344.43587 kJ/mol

n=10

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn10.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -391.02344 kJ/mol

n=11

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn11.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -431.48994 kJ/mol

n=12

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn12.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -492.90925 kJ/mol

n=13

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn13.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -532.97162 kJ/mol

n=14

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn14.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -582.99227 kJ/mol

n=15

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn15.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -628.37352 kJ/mol

n=16

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn16.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -681.19401 kJ/mol

n=17

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn17.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -723.80925 kJ/mol

n=18

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn18.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -773.23345 kJ/mol

n=19

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP4Pn19.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -821.03860 kJ/mol

Related reading

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