Noura Dawass

144 B IBLIOGRAPHY [78] T. L. Hill, Thermodynamics of small systems, Journal of Chemical Physics 36 , 3182–3197 (1962). [79] T. L. Hill, Thermodynamics of small systems , 1st ed. (Dover, New York, US, 1994). [80] N. Dawass, P. Krüger, S. K. Schnell, D. Bedeaux, S. Kjelstrup, J.-M. Simon, and T. J. H. Vlugt, Finite-size effects of Kirkwood–Buff integrals frommolec- ular simulations, Molecular Simulation 44 , 1–14 (2017). [81] P. Krüger and T. J. H. Vlugt, Size and shape dependence of finite–volume Kirkwood-Buff integrals, Physical Review E 97 , 051301 (2018). [82] E. W. Weisstein, CRC Concise Encyclopedia of Mathematics , 2nd ed. (Chap- man and Hall, Boca Raton, Florida). [83] R. Cortes-Huerto, K. Kremer, and R. Potestio, Communication: Kirkwood- Buff integrals in the thermodynamic limit from small–sized molecular dy- namics simulations, Journal of Chemical Physics 145 , 141103 (2016). [84] N. Dawass, P. Krüger, J.-M. Simon, and T. J. H. Vlugt, Kirkwood–Buff inte- grals of finite systems: shape effects, Molecular Physics 116 , 1–8 (2018). [85] R. Wedberg, J. P. O’Connell, G. H. Peters, and J. Abildskov, Total and direct correlation function integrals frommolecular simulation of binary systems, Fluid Phase Equilibria 302 , 32–42 (2011). [86] L. Verlet, Computer "experiments" on classical fluids. II. Equilibrium corre- lation functions, Physical Review 165 , 201 (1968). [87] D. M. Rogers, Extension of Kirkwood–Buff theory to the canonical ensemble, Journal of Chemical Physics 148 , 054102 (2018). [88] N. H. March and M. P. Tosi, Atomic dynamics in liquids , 1st ed. (Dover, New York, US, 1991). [89] S. K. Schnell, R. Skorpa, D. Bedeaux, S. Kjelstrup, T. J. H. Vlugt, and J.-M. Simon, Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation, Journal of Chemical Physics 141 , 144501 (2014). [90] R. Skorpa, J.-M. Simon, D. Bedeaux, and S. Kjelstrup, The reaction en- thalpy of hydrogen dissociation calculated with the small system method from simulation of molecular fluctuations, Physical Chemistry Chemical Physics 16 , 19681–19693 (2014).

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