What is the effective dielectric constant in a β-cyclodextrin cavity? Insights from Molecular Dynamics simulations and QM/MM calculations - Université de Lorraine Access content directly
Journal Articles Computational and Theoretical Chemistry Year : 2011

What is the effective dielectric constant in a β-cyclodextrin cavity? Insights from Molecular Dynamics simulations and QM/MM calculations

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hal-02278880 , version 1 (04-09-2019)

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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, 2011, 968 (1-3), pp.71-76. ⟨10.1016/j.comptc.2011.05.008⟩. ⟨hal-02278880⟩
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