http://www.sklogwiki.org/SklogWiki/index.php?action=history&feed=atom&title=Water_clusters%3A_q-TIP4P%2FF_model 2026-04-30T18:57:58Z Revision history for this page on the wiki MediaWiki 1.41.0 http://www.sklogwiki.org/SklogWiki/index.php?title=Water_clusters:_q-TIP4P/F_model&diff=9519&oldid=prev 2010-02-05T11:35:30Z

<p>New page: The following <a href="/SklogWiki/index.php/Water_clusters" title="Water clusters"> clusters</a> are for the <a href="/SklogWiki/index.php/Q-TIP4P/F" class="mw-redirect" title="Q-TIP4P/F"> q-TIP4P/F model</a> of <a href="/SklogWiki/index.php/Water" title="Water">water</a> at a <a href="/SklogWiki/index.php/Temperature" title="Temperature">temperature</a> of 0K &lt;ref&gt;[http://dx.doi.org/10.1021/jp910770y Briesta S. Gonzál...</p> <p><b>New page</b></p><div>The following [[water clusters | clusters]] are for the [[Q-TIP4P/F | q-TIP4P/F model]] of [[water]] at a [[temperature]] of 0K &lt;ref&gt;[http://dx.doi.org/10.1021/jp910770y Briesta S. González, Eva G. Noya, Carlos Vega and Luis M. Sesé &quot;Nuclear Quantum Effects in Water Clusters: The Role of the Molecular Flexibility&quot;, Journal of Physical Chemistry B (Article ASAP) (2010)]&lt;/ref&gt;<br /> 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].<br /> :{| border=&quot;2&quot; cellpadding=&quot;5&quot; cellspacing=&quot;0&quot;<br /> |-<br /> |<br /> n=2{{Jmol_general|ClustersqTIP4PFn2.xyz|&lt;nowiki&gt; Energy= -6.54732 kcal/mol&lt;/nowiki&gt;}} || <br /> n=3{{Jmol_general|ClustersqTIP4PFn3.xyz|&lt;nowiki&gt; Energy= -17.76780 kcal/mol&lt;/nowiki&gt;}} ||<br /> n=4{{Jmol_general|ClustersqTIP4PFn4.xyz|&lt;nowiki&gt; Energy= -29.86296 kcal/mol&lt;/nowiki&gt;}}<br /> |-<br /> |<br /> n=5{{Jmol_general|ClustersqTIP4PFn5.xyz|&lt;nowiki&gt; Energy= -39.00521 kcal/mol&lt;/nowiki&gt;}} || <br /> n=6{{Jmol_general|ClustersqTIP4PFn6.xyz|&lt;nowiki&gt; Energy= -50.64475 kcal/mol&lt;/nowiki&gt;}} ||<br /> n=7{{Jmol_general|ClustersqTIP4PFn7.xyz|&lt;nowiki&gt; Energy= -62.39650 kcal/mol&lt;/nowiki&gt;}}<br /> |-<br /> |<br /> n=8{{Jmol_general|ClustersqTIP4PFn8.xyz|&lt;nowiki&gt; Energy= -78.44217 kcal/mol&lt;/nowiki&gt;}} || <br /> n=9{{Jmol_general|ClustersqTIP4PFn9.xyz|&lt;nowiki&gt; Energy= -88.45074 kcal/mol&lt;/nowiki&gt;}} ||<br /> n=10{{Jmol_general|ClustersqTIP4PFn10.xyz|&lt;nowiki&gt; Energy= -100.37714 kcal/mol&lt;/nowiki&gt;}}<br /> |-<br /> |<br /> n=11{{Jmol_general|ClustersqTIP4PFn11.xyz|&lt;nowiki&gt; Energy= -110.71029 kcal/mol&lt;/nowiki&gt;}} || <br /> n=12{{Jmol_general|ClustersqTIP4PFn12.xyz|&lt;nowiki&gt; Energy= -126.54892 kcal/mol&lt;/nowiki&gt;}} ||<br /> n=13{{Jmol_general|ClustersqTIP4PFn13.xyz|&lt;nowiki&gt; Energy= -137.04388 kcal/mol&lt;/nowiki&gt;}}<br /> |-<br /> |<br /> n=14{{Jmol_general|ClustersqTIP4PFn14.xyz|&lt;nowiki&gt; Energy= -149.71678 kcal/mol&lt;/nowiki&gt;}} || <br /> n=15{{Jmol_general|ClustersqTIP4PFn15.xyz|&lt;nowiki&gt; Energy= -161.31445 kcal/mol&lt;/nowiki&gt;}} ||<br /> n=16{{Jmol_general|ClustersqTIP4PFn16.xyz|&lt;nowiki&gt; Energy= -174.89313 kcal/mol&lt;/nowiki&gt;}} |-<br /> |<br /> n=17{{Jmol_general|ClustersqTIP4PFn17.xyz|&lt;nowiki&gt; Energy= -186.08322 kcal/mol&lt;/nowiki&gt;}} || <br /> n=18{{Jmol_general|ClustersqTIP4PFn18.xyz|&lt;nowiki&gt; Energy= -198.62035 kcal/mol&lt;/nowiki&gt;}} ||<br /> n=19{{Jmol_general|ClustersqTIP4PFn19.xyz|&lt;nowiki&gt; Energy= -211.34381 kcal/mol&lt;/nowiki&gt;}}<br /> |}<br /> ==Related reading==<br /> &lt;references/&gt;<br /> {{numeric}}<br /> [[category: water]]<br /> [[category: contains Jmol]]</div>

Carl McBride