Methanol: Difference between revisions
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{{Stub-general}} | {{Stub-general}} | ||
'''Methanol''' (CH<sub>3</sub>OH) | '''Methanol''' (CH<sub>3</sub>OH) | ||
<jmol> | |||
<jmolApplet> | |||
<inlineContents> | |||
<molecule id="methanol"> | |||
<atomArray atomID="a1 a2 a3 a4 a5 a6" | |||
elementType="C O H H H H" | |||
x3="-0.748 0.558 -1.293 -1.263 -0.699 0.716" | |||
y3="-0.015 0.420 0.202 0.754 -0.934 1.404" | |||
z3="0.024 -0.278 -0.901 0.600 0.609 0.137"/> | |||
</molecule> | |||
</inlineContents> | |||
</jmolApplet> | |||
</jmol> | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1063/1.2803059 D. Costa, G. Munaó, F. Saija and C. Caccarno "Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol", Journal of Chemical Physics '''127''' 224501 (2007)] | #[http://dx.doi.org/10.1063/1.2803059 D. Costa, G. Munaó, F. Saija and C. Caccarno "Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol", Journal of Chemical Physics '''127''' 224501 (2007)] | ||
#[http://dx.doi.org/10.1063/1.2801538 Maximiliano Valdéz-González, Humberto Saint-Martin, Jorge Hernández-Cobos, Regla Ayala, Enrique Sanchez-Marcos, and Ivan Ortega-Blake "Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation", Journal of Chemical Physics '''127''' 224507 (2007)] | #[http://dx.doi.org/10.1063/1.2801538 Maximiliano Valdéz-González, Humberto Saint-Martin, Jorge Hernández-Cobos, Regla Ayala, Enrique Sanchez-Marcos, and Ivan Ortega-Blake "Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation", Journal of Chemical Physics '''127''' 224507 (2007)] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 16:04, 4 January 2008
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Methanol (CH3OH) <jmol>
<jmolApplet>
<inlineContents>
<molecule id="methanol">
<atomArray atomID="a1 a2 a3 a4 a5 a6"
elementType="C O H H H H"
x3="-0.748 0.558 -1.293 -1.263 -0.699 0.716"
y3="-0.015 0.420 0.202 0.754 -0.934 1.404"
z3="0.024 -0.278 -0.901 0.600 0.609 0.137"/>
</molecule>
</inlineContents>
</jmolApplet>
</jmol>
References
- D. Costa, G. Munaó, F. Saija and C. Caccarno "Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol", Journal of Chemical Physics 127 224501 (2007)
- Maximiliano Valdéz-González, Humberto Saint-Martin, Jorge Hernández-Cobos, Regla Ayala, Enrique Sanchez-Marcos, and Ivan Ortega-Blake "Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation", Journal of Chemical Physics 127 224507 (2007)