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) | ||
*[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/10.1063/1.480308 Jeffrey R. Errington and Athanassios Z. Panagiotopoulos "New intermolecular potential models for benzene and cyclohexane", Journal of Chemical Physics '''111''' pp. 9731-9738 (1999)] | ||
* J. W. Schroer and P. W. Monson "Phase behavior of a hard sphere interaction site model of benzene", Journal of Chemical Physics '''112''' pp. 8950-8957 (2000) | *[http://dx.doi.org/10.1063/1.481508 J. W. Schroer and P. W. Monson "Phase behavior of a hard sphere interaction site model of benzene", Journal of Chemical Physics '''112''' pp. 8950-8957 (2000)] | ||
*[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)] | ||
*[http://dx.doi.org/10.1063/1.4960434 Sam Azadi and R. E. Cohen "Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo", Journal of Chemical Physics '''145''' 064501 (2016)] | |||
[[category: Contains Jmol]] | [[category: Contains Jmol]] | ||
[[category: models]] | [[category: models]] | ||
Latest revision as of 12:34, 2 September 2016
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<jmol> <jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>benzene.pdb</wikiPageContents> </jmolApplet></jmol> |
Benzene (C6H6)
References[edit]
- Related reading
- John H. Wotiz and Susanna Rudofsky "Kekules dream: fact or fiction?", Chemistry in Britain August pp. 720-723 (1984)
- Jeffrey R. Errington and Athanassios Z. Panagiotopoulos "New intermolecular potential models for benzene and cyclohexane", Journal of Chemical Physics 111 pp. 9731-9738 (1999)
- J. W. Schroer and P. W. Monson "Phase behavior of a hard sphere interaction site model of benzene", Journal of Chemical Physics 112 pp. 8950-8957 (2000)
- 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)
- Sam Azadi and R. E. Cohen "Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo", Journal of Chemical Physics 145 064501 (2016)