Publicaciones en colaboración con investigadores/as de Northwestern University (7)

2008

  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

  2. Unraveling the argon adsorption processes in MFI-type zeolite

    Journal of Physical Chemistry C, Vol. 112, Núm. 27, pp. 9976-9979

2007

  1. A computational method to characterize framework aluminum in aluminosilicates

    Angewandte Chemie - International Edition, Vol. 46, Núm. 1-2, pp. 276-278

  2. A computational study of CO2, N2, and CH4 adsorption in zeolites

    Adsorption, Vol. 13, Núm. 5-6, pp. 469-476

  3. A simulation study of alkanes in Linde Type A zeolites

    Adsorption Science and Technology, Vol. 25, Núm. 6, pp. 417-427

  4. Understanding aluminum location and non-framework ions effects on alkane adsorption in aluminosilicates: A molecular simulation study

    Journal of Physical Chemistry C, Vol. 111, Núm. 28, pp. 10419-10426

2006

  1. Influence of cation Na/Ca ratio on adsorption in LTA 5A: A systematic molecular simulation study of alkane chain length

    Journal of Physical Chemistry B, Vol. 110, Núm. 47, pp. 23968-23976