Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity

Nuno M. Garrido, Miguel Jorge, António J. Queimada, Eugénia A. Macedo, Ioannis G. Economou
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c1cp20110g
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