• Quantum cluster equilibrium prediction of liquid ethanol 

      Malloum, Alhadji; Dhaouadi, Zoubeida; Conradie, Jeanet (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-07-17)
      Quantum cluster equilibrium theory (QCE) has been widely used to determine the properties of pure and binary mixture of liquids. The main limitation of the application of QCE is the exploration of different possible clusters formed by the solvent molecules. Therefore, in this study, we applied the QCE theory to predict liquid properties of ethanol after thorough exploration of the potential energy ...