Benzene: Difference between revisions
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*John H. Wotiz and Susanna Rudofsky "Kekules dream: fact or fiction?", Chemistry in Britain '''August''' pp. 720-723 (1984) | *John H. Wotiz and Susanna Rudofsky "Kekules dream: fact or fiction?", Chemistry in Britain '''August''' pp. 720-723 (1984) | ||
==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)] | |||
#[http://dx.doi.org/10.1021/ja046642u Ivo Cacelli, Giorgio Cinacchi, Giacomo Prampolini, and Alessandro Tani "Computer Simulation of Solid and Liquid Benzene with an Atomistic Interaction Potential Derived from ab Initio Calculations", JACS '''126''' pp. 14278-14286 (2004)] | #[http://dx.doi.org/10.1021/ja046642u Ivo Cacelli, Giorgio Cinacchi, Giacomo Prampolini, and Alessandro Tani "Computer Simulation of Solid and Liquid Benzene with an Atomistic Interaction Potential Derived from ab Initio Calculations", JACS '''126''' pp. 14278-14286 (2004)] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 14:48, 5 January 2008
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Benzene (C6H6)
<jmol> <jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>benzene.pdb</wikiPageContents> </jmolApplet></jmol> |
Interesting reading
- John H. Wotiz and Susanna Rudofsky "Kekules dream: fact or fiction?", Chemistry in Britain August pp. 720-723 (1984)
References
- Jeffrey R. Errington and Athanassios Z. Panagiotopoulos "New intermolecular potential models for benzene and cyclohexane", Journal of Chemical Physics 111 pp. 9731-9738 (1999)
- Ivo Cacelli, Giorgio Cinacchi, Giacomo Prampolini, and Alessandro Tani "Computer Simulation of Solid and Liquid Benzene with an Atomistic Interaction Potential Derived from ab Initio Calculations", JACS 126 pp. 14278-14286 (2004)