Water clusters: q-TIP4P/F model: Difference between revisions
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Carl McBride (talk | contribs) (New page: The following clusters are for the q-TIP4P/F model of water at a temperature of 0K <ref>[http://dx.doi.org/10.1021/jp910770y Briesta S. Gonzál...) |
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Latest revision as of 12:35, 5 February 2010
The following clusters are for the q-TIP4P/F 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>ClustersqTIP4PFn2.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -6.54732 kcal/mol n=3
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn3.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -17.76780 kcal/mol n=4
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn4.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -29.86296 kcal/mol n=5
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn5.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -39.00521 kcal/mol n=6
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn6.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -50.64475 kcal/mol n=7
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn7.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -62.39650 kcal/mol n=8
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn8.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -78.44217 kcal/mol n=9
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn9.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -88.45074 kcal/mol n=10
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn10.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -100.37714 kcal/mol n=11
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn11.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -110.71029 kcal/mol n=12
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn12.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -126.54892 kcal/mol n=13
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn13.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -137.04388 kcal/mol n=14
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn14.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -149.71678 kcal/mol n=15
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn15.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -161.31445 kcal/mol n=16
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn16.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -174.89313 kcal/mol n=17
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn17.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -186.08322 kcal/mol n=18
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn18.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -198.62035 kcal/mol n=19
<jmol>
<jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>ClustersqTIP4PFn19.xyz</wikiPageContents> </jmolApplet>
</jmol>Energy= -211.34381 kcal/mol Related reading[edit]
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