Separating Enthalpic, Configurational, and Solvation Entropic Components in Host-Guest Binding: Application to Cucurbit[7]uril Complexes through a Full in Silico Approach via Water Nanodroplets

  1. Fianchini, M.
  2. Llorens, L.
  3. Pericàs, M.A.
Revue:
Journal of Physical Chemistry B

ISSN: 1520-5207 1520-6106

Année de publication: 2020

Volumen: 124

Número: 46

Pages: 10486-10499

Type: Article

DOI: 10.1021/ACS.JPCB.0C08507 GOOGLE SCHOLAR