Publications in collaboration with researchers from Utrecht University (4)


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

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 7, pp. 1107-1118


  1. Force field parametrization through fitting on inflection points in isotherms

    Physical Review Letters, Vol. 93, Núm. 8

  2. United atom force field for alkanes in nanoporous materials

    Journal of Physical Chemistry B, Vol. 108, Núm. 33, pp. 12301-12313


  1. Simulating the effect of nonframework cations on the adsorption of alkanes in MFI-type zeolites

    Journal of Physical Chemistry B, Vol. 107, Núm. 44, pp. 12088-12096