Water clusters: TIP3P model: Difference between revisions
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The following clusters are for the [[TIP3P | TIP3P model]] | The following clusters are for the classical [[TIP3P | TIP3P model]] of [[water]] at a [[temperature]] of 0K. | ||
The energies were calculated by Javier Hernández Rojas and [[User:Briesta |Briesta Sigoñe González González]]. | |||
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==References== | ==References== | ||
*[http://dx.doi.org/10.1021/jp027783q H. Kabrede and R. Hentschke "Global Minima of Water Clusters (H2O)N, N ≤ 25, Described by Three Empirical Potentials", Journal of Physical Chemistry B '''107''' pp. 3914-3920 (2003)] | |||
{{numeric}} | |||
[[category: water]] | [[category: water]] | ||
[[category: contains Jmol]] | [[category: contains Jmol]] | ||
Revision as of 14:45, 20 July 2009
The following clusters are for the classical TIP3P model of water at a temperature of 0K. The energies were calculated by Javier Hernández Rojas and Briesta Sigoñe González González.
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
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