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Results: 96
Number of items: 96
  • Gutiérrez Sevillano, J. J., Dubbeldam, D., Bellarosa, L., López, N., Liu, X., Vlugt, T. J. H., & Calero, S. (2013). Strategies to Simultaneously Enhance the Hydrostability and the Alcohol-Water Separation Behavior of Cu-BTC. The Journal of Physical Chemistry. C, 117(40), 20706-20714. https://doi.org/10.1021/jp406627c
  • Cannon, J. J., Vlugt, T. J. H., Dubbeldam, D., Maruyama, S., & Shiomi, J. (2012). A simulation study on the adsorption properties of linear alkanes on closed nanotube bundles. The journal of Physical Chemistry. B, 116(32), 9812-9819. https://doi.org/10.1021/jp3039225
  • Garcia-Perez, E., Schnell, S. K., Castillo, J. M., Calero, S., Kjelstrup, S., Dubbeldam, D., & Vlugt, T. J. H. (2011). External surface adsorption on silicalite-1 zeolite studied by molecular simulation. The Journal of Physical Chemistry. C, 115(31), 15355-15360. https://doi.org/10.1021/jp201570z
  • Castillo, J. M., Vlugt, T. J. H., Dubbeldam, D., Hamad, S., & Calero, S. (2010). Performance of chiral zeolites for enantiomeric separation revealed by molecular simulation. The Journal of Physical Chemistry. C, 114(50), 22207-22213. https://doi.org/10.1021/jp1079394
  • Vlugt, T. J. H., van den Bergh, J., Dubbeldam, D., & Kapteijn, F. (2010). Reconciling the Relevant Site Model and dynamically corrected Transition State Theory. Chemical Physics Letters, 495(1-3), 77-79. https://doi.org/10.1016/j.cplett.2010.06.047
  • García-Sánchez, A., Ania, C. O., Parra, J. B., Dubbeldam, D., Vlugt, T. J. H., Krishna, R., & Calero, S. (2009). Transferable force field for carbon dioxide adsorption in zeolites. The Journal of Physical Chemistry. C, 113(20), 8814-8820. https://doi.org/10.1021/jp810871f
  • Ostojic, S., Vlugt, T. J. H., & Nienhuis, B. (2007). Universal anisotropy in force networks under shear. Physical Review E, 75(3), 030301.
  • 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
  • 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., Vlugt, T. J. H., & Smit, B. (2005). Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory. Journal of Chemical Physics, 122(22), 224712/1-224712/17.
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