Water clusters: TIP3P model

From SklogWiki
Revision as of 14:28, 20 July 2009 by Briesta (talk | contribs) (energy changed for n=4)
Jump to navigation Jump to search

The following clusters are for the TIP3P model for water

n=2

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn2.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -27.36312 kJ/mol

n=3

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn3.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -72.96992 kJ/mol

n=4

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn4.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -122.56306 kJ/mol

n=5

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn5.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -162.14674 kJ/mol

n=6

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn6.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -199.95305 kJ/mol

n=7

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn7.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -242.33200 kJ/mol

n=8

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn8.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -295.60298 kJ/mol

n=9

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn9.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -341.53969 kJ/mol

n=10

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn10.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -386.77459 kJ/mol

n=11

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn11.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -428.06915 kJ/mol

n=12

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn12.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -478.5136 kJ/mol

n=13

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn13.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -523.39906 kJ/mol

n=14

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn14.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -572.69371 kJ/mol

n=15

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn15.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -619.46926 kJ/mol

n=16

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn16.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -664.13765 kJ/mol

n=17

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn17.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -713.61647 kJ/mol

n=18

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn18.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -764.70985 kJ/mol

n=19

<jmol>

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>ClustersTIP3Pn19.xyz</wikiPageContents>
</jmolApplet>
</jmol>
Energy= -810.46733 kJ/mol

References