Computing the heat of adsorption using molecular simulations: The effect of strong Coulombic interactions

  1. Vlugt, T.J.H.
  2. García-Pérez, E.
  3. Dubbeldam, D.
  4. Ban, S.
  5. Calero, S.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9618

Year of publication: 2008

Volume: 4

Issue: 7

Pages: 1107-1118

Type: Article

DOI: 10.1021/CT700342K GOOGLE SCHOLAR
Data source: Scopus