Alexandrine Lambert, Violeta Yeguas, Gerald Monard, Manuel Ruiz-Lopez. What is the effective dielectric constant in a β-cyclodextrin cavity? Insights from Molecular Dynamics simulations and QM/MM calculations.
Computational and Theoretical Chemistry, Elsevier, 2011, 968 (1-3), pp.71-76.
⟨10.1016/j.comptc.2011.05.008⟩.
⟨hal-02278880⟩