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

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https://hal.univ-lorraine.fr/hal-02278880
Contributor : Alexandrine Lambert Connect in order to contact the contributor
Submitted on : Wednesday, September 4, 2019 - 5:04:34 PM
Last modification on : Monday, December 13, 2021 - 1:14:07 PM

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

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