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Results: 89
Number of items: 89
  • Liu, B., Garcia-Perez, E., Dubbeldam, D., Smit, B., & Calero, S. (2007). Understanding Aluminum Location and Non-framework Ions Effects on Alkane Adsorption in Aluminosilicates: A Molecular Simulation Study. The Journal of Physical Chemistry. C, 111(28), 10419-10426. https://doi.org/10.1021/jp0683521
  • Garcia-Perez, E., Parra, J. B., Ania, C. O., García-Sánchez, A., van Baten, J. M., Krishna, R., Dubbeldam, D., & Calero, S. (2007). A computational study of CO2, N2, and CH4 adsorption in zeolites. Adsorption, 13(5-6), 469-476. https://doi.org/10.1007/s10450-007-9039-z
  • Krishna, R., van Baten, J. M., Garcia-Perez, E., & Calero, S. (2007). Incorporating the Loading Dependence of the Maxwell-Stefan Diffusivity in the Modeling of CH4 and CO2 Permeation Across Zeolite Membranes. Industrial & Engineering Chemistry Research, 46(10), 2974-2986. https://doi.org/10.1021/ie060693d
  • Maesen, T. L. M., Beerdsen, E., Calero, S., Dubbeldam, D., & Smit, B. (2006). Understanding cage effects in the n-alkane conversion on zeolites. Journal of Catalysis, 237(2), 278-290. https://doi.org/10.1016/j.jcat.2005.11.007
  • Calero, S., Lobato, M. D., Garcia-Perez, E., Mejias, J. A., Lago, S., Vlugt, T. J. H., Maesen, T. L. M., Smit, B., & Dubbeldam, D. (2006). A coarse-graining approach for the proton complex in protonated aluminosilicates. The journal of Physical Chemistry. B, 110(12), 5838-5841. https://doi.org/10.1021/jp060174o
  • Dubbeldam, D., Beerdsen, E., Calero, S., & Smit, B. (2006). Dynamically Corrected Transition State Theory Calculations of Self-Diffusion in Anisotropic Nanoporous Materials. The journal of Physical Chemistry. B, 110, 3164-3172. https://doi.org/10.1021/jp0542470
  • Liu, B., Smit, B., & Calero, S. (2006). Evaluation of a New Force Field for Describing the Adsorption Behavior of Alkanes in Various Pure Silica Zeolites. The journal of Physical Chemistry. B, 110(41), 20166-20171. https://doi.org/10.1021/jp064413j
  • Krishna, R., van Baten, J. M., Garcia-Perez, E., & Calero, S. (2006). Diffusion of CH4 and CO2 in MFI, CHA and DDR zeolites. Chemical Physics Letters, 429(1-3), 219-224. https://doi.org/10.1016/j.cplett.2006.08.015
  • Garcia-Perez, E., Torrens, I. M., Lago, S., Dubbeldam, D., Vlugt, T. J. H., Maesen, T. L. M., Smit, B., Krishna, R., & Calero, S. (2005). Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations. Applied Surface Science, 252(3), 716-722. https://doi.org/10.1016/j.apsusc.2005.02.103
  • Dubbeldam, D., Beerdsen, E., Calero, S., & Smit, B. (2005). Molecular path control in zeolite membranes. Proceedings of the National Academy of Sciences of the United States of America, 102(35), 12317-12320. https://doi.org/10.1073/pnas.0503908102
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