United atom forcefield for vapor-liquid equilibrium (VLE) properties of cyclic and polycyclic compounds from Monte Carlo simulations

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https://hal.archives-ouvertes.fr/hal-02354257
Contributor : Bernard Rousseau <>
Submitted on : Thursday, November 7, 2019 - 4:14:55 PM
Last modification on : Saturday, November 9, 2019 - 1:37:48 AM

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M. Yiannourakou, Ph. Ungerer, V. Lachet, B. Rousseau, J.-M. Teuler. United atom forcefield for vapor-liquid equilibrium (VLE) properties of cyclic and polycyclic compounds from Monte Carlo simulations. Fluid Phase Equilibria, Elsevier, 2019, 481, pp.28-43. ⟨10.1016/j.fluid.2018.07.001⟩. ⟨hal-02354257⟩

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