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

  1. Lambert, A.
  2. Yeguas, V.
  3. Monard, G.
  4. Ruiz-López, M.F.
Journal:
Computational and Theoretical Chemistry

ISSN: 2210-271X

Year of publication: 2011

Volume: 968

Issue: 1-3

Pages: 71-76

Type: Article

DOI: 10.1016/J.COMPTC.2011.05.008 GOOGLE SCHOLAR

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