Cyclohexane: Difference between revisions

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[[category: Contains Jmol]]
[[category: Contains Jmol]]
==References==
==References==
#[http://dx.doi.org/10.1063/1.480308 Jeffrey R. Errington and Athanassios Z. Panagiotopoulos "New intermolecular potential models for benzene and cyclohexane", Journal of Chemical Physics '''111''' pp. 9731-9738 (1999)]
[[category: models]]
[[category: models]]

Revision as of 15:49, 5 January 2008

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Cyclohexane is a cycloalkane with the molecular formula C6H12.

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   <inlineContents><![CDATA[<cml:molecule xmlns:cml="http://www.xml-cml.org/schema/cml2/core" title="chair.mol">

<cml:atomArray atomID="a1 a2 a3 a4 a5 a6 a7 a8 a9 a10 a11 a12 a13 a14 a15 a16 a17 a18" elementType="C C C C C C H H H H H H H H H H H H" formalCharge="0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0" x3="1.688100 2.148400 2.936100 2.092700 1.632900 0.853200 2.580700 1.089700 1.257800 2.779100 3.872500 3.241300 1.200500 2.683500 0.995700 2.524000 0.564200 -0.091900" y3="2.157200 3.621700 3.912600 3.576900 2.112000 1.810200 1.488700 1.971100 4.292700 3.847400 3.305300 4.986100 4.246700 3.770000 1.892800 1.442600 0.732200 2.403900" z3="-3.019300 -2.979700 -1.694200 -0.455700 -0.489800 -1.777800 -3.065200 -3.943000 -3.028200 -3.872700 -1.684400 -1.668500 -0.422400 0.471400 0.400200 -0.429400 -1.803100 -1.787800"/> <cml:bondArray atomRef1="a1 a1 a1 a1 a2 a2 a2 a3 a3 a3 a4 a4 a4 a5 a5 a5 a6 a6" atomRef2="a2 a6 a7 a8 a3 a9 a10 a4 a11 a12 a5 a13 a14 a6 a15 a16 a17 a18" order="1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1"/> </cml:molecule>]]>

  </inlineContents>
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Cyclohexane

References

  1. Jeffrey R. Errington and Athanassios Z. Panagiotopoulos "New intermolecular potential models for benzene and cyclohexane", Journal of Chemical Physics 111 pp. 9731-9738 (1999)