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Structural Properties and Dynamics of Thiophene in Sub/Supercritical Carbon Dioxide from Car–Parrinello Molecular Dynamics SimulationsZeng, Yongping; Wang, Chunfeng; Xu, Yueyang; Xu, WenLin; Ju, Shengui · The Journal of Physical Chemistry B · 2015
The structure of hydrated complexes of o-hydroxybenzoic acid in water-modified supercritical carbon dioxide: The Car-Parrinello molecular dynamics simulationPetrenko, Valentina E.; Antipova, Marina L.; Gurina, Darya L. · The Journal of Supercritical Fluids · 2014