Editing Water clusters: TIP4PQ/2005 model
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The following [[water clusters | clusters]] are for the [[TIP4PQ/2005 | TIP4PQ/2005 model]] of [[water]] at a [[temperature]] of 0K | The following [[water clusters | clusters]] are for the [[TIP4PQ/2005 | TIP4PQ/2005 model]] of [[water]] at a [[temperature]] of 0K. | ||
The structures and energies shown here were calculated by [[User:Briesta |Dr. Briesta Sigoñe González González]] of the [http://www.ull.es/ Universidad de La Laguna]. | The structures and energies shown here were calculated by [[User:Briesta |Dr. Briesta Sigoñe González González]] of the [http://www.ull.es/ Universidad de La Laguna]. | ||
:{| border="2" cellpadding="5" cellspacing="0" | :{| border="2" cellpadding="5" cellspacing="0" | ||
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n=2{{Jmol_general|ClustersTIP4PQ2005n2.xyz|<nowiki> Energy= | n=2{{Jmol_general|ClustersTIP4PQ2005n2.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=3{{Jmol_general|ClustersTIP4PQ2005n3.xyz|<nowiki> Energy= | n=3{{Jmol_general|ClustersTIP4PQ2005n3.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=4{{Jmol_general|ClustersTIP4PQ2005n4.xyz|<nowiki> Energy= | n=4{{Jmol_general|ClustersTIP4PQ2005n4.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
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n=5{{Jmol_general|ClustersTIP4PQ2005n5.xyz|<nowiki> Energy= | n=5{{Jmol_general|ClustersTIP4PQ2005n5.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=6{{Jmol_general|ClustersTIP4PQ2005n6.xyz|<nowiki> Energy= | n=6{{Jmol_general|ClustersTIP4PQ2005n6.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=7{{Jmol_general|ClustersTIP4PQ2005n7.xyz|<nowiki> Energy= | n=7{{Jmol_general|ClustersTIP4PQ2005n7.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
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n=8{{Jmol_general|ClustersTIP4PQ2005n8.xyz|<nowiki> Energy= | n=8{{Jmol_general|ClustersTIP4PQ2005n8.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=9{{Jmol_general|ClustersTIP4PQ2005n9.xyz|<nowiki> Energy= | n=9{{Jmol_general|ClustersTIP4PQ2005n9.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=10{{Jmol_general|ClustersTIP4PQ2005n10.xyz|<nowiki> Energy= | n=10{{Jmol_general|ClustersTIP4PQ2005n10.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
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n=11{{Jmol_general|ClustersTIP4PQ2005n11.xyz|<nowiki> Energy= | n=11{{Jmol_general|ClustersTIP4PQ2005n11.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=12{{Jmol_general|ClustersTIP4PQ2005n12.xyz|<nowiki> Energy= | n=12{{Jmol_general|ClustersTIP4PQ2005n12.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=13{{Jmol_general|ClustersTIP4PQ2005n13.xyz|<nowiki> Energy= | n=13{{Jmol_general|ClustersTIP4PQ2005n13.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
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n=14{{Jmol_general|ClustersTIP4PQ2005n14.xyz|<nowiki> Energy= | n=14{{Jmol_general|ClustersTIP4PQ2005n14.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=15{{Jmol_general|ClustersTIP4PQ2005n15.xyz|<nowiki> Energy= | n=15{{Jmol_general|ClustersTIP4PQ2005n15.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=16{{Jmol_general|ClustersTIP4PQ2005n16.xyz|<nowiki> Energy= | n=16{{Jmol_general|ClustersTIP4PQ2005n16.xyz|<nowiki> Energy= kJ/mol</nowiki>}} |- | ||
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n=17{{Jmol_general|ClustersTIP4PQ2005n17.xyz|<nowiki> Energy= | n=17{{Jmol_general|ClustersTIP4PQ2005n17.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=18{{Jmol_general|ClustersTIP4PQ2005n18.xyz|<nowiki> Energy= | n=18{{Jmol_general|ClustersTIP4PQ2005n18.xyz|<nowiki> Energy= kJ/mol</nowiki>}} || | ||
n=19{{Jmol_general|ClustersTIP4PQ2005n19.xyz|<nowiki> Energy= | n=19{{Jmol_general|ClustersTIP4PQ2005n19.xyz|<nowiki> Energy= kJ/mol</nowiki>}} | ||
|} | |} | ||
==Related reading== | ==Related reading== | ||
*[http://dx.doi.org/10.1021/jp910770y Briesta S. González, Eva G. Noya, Carlos Vega and Luis M. Sesé "Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility", Journal of Physical Chemistry B (Article ASAP) (2010)] | |||
{{numeric}} | {{numeric}} | ||
[[category: water]] | [[category: water]] | ||
[[category: contains Jmol]] | [[category: contains Jmol]] |