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Pure Appl. Chem., 2004, Vol. 76, No. 1, pp. 203-213

http://dx.doi.org/10.1351/pac200476010203

Translational and rotational dynamics in supercritical methanol from molecular dynamics simulation

Michalis Chalaris and J. Samios

Physical Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis, 15771 Athens, Greece

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  • Chowdhuri Snehasis, Pattanayak Subrat Kumar: Pressure effects on the dynamics of ions and solvent molecules in liquid methanol under ambient and cold conditions: Importance of solvent's H-bonding network. Journal of Molecular Liquids 2013, 180, 172. <http://dx.doi.org/10.1016/j.molliq.2013.01.014>
  • Gurina D. L., Petrenko V. E., Antipova M. L.: Calculating the radial distribution functions of supercritical methanol by means of Car-Parrinello and classical molecular dynamics. Russ. J. Phys. Chem. 2013, 87, 1138. <http://dx.doi.org/10.1134/S0036024413070121>
  • Glisic Sandra B., Orlovic Aleksandar M.: Modelling of non-catalytic biodiesel synthesis under sub and supercritical conditions: The influence of phase distribution. The Journal of Supercritical Fluids 2012, 65, 61. <http://dx.doi.org/10.1016/j.supflu.2012.02.025>
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  • Skarmoutsos Ioannis, Samios Jannis: Local density augmentation and dynamic properties of hydrogen-and non-hydrogen-bonded supercritical fluids: A molecular dynamics study. J Chem Phys 2007, 126, 044503. <http://dx.doi.org/10.1063/1.2431370>
  • Zhang Yang, Yang Jichu, Yu Yang-Xin, Li Yi-Gui: Structural and hydrogen bond analysis for supercritical ethanol: A molecular simulation study. J Sup Fluids 2005, 36, 145. <http://dx.doi.org/10.1016/j.supflu.2005.04.005>