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Results: 96
Number of items: 96
  • 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.
  • Dubbeldam, D., Calero, S., Vlugt, T. J. H., Krishna, R., Maesen, T. L. M., & Smit, B. (2004). United Atom Force Field for Alkanes in Nanoporous Materials. The journal of Physical Chemistry. B, 108(33), 12301-12313. https://doi.org/10.1021/jp0376727
  • Dubbeldam, D., Calero, S., Vlugt, T. J. H., Krishna, R., Maesen, T. L. M., Beerdsen, E., & Smit, B. (2004). Force field parametrization through fitting on inflection points in isotherms. Physical Review Letters, 93(8), Article 088302.
  • Calero, S., Dubbeldam, D., Krishna, R., Smit, B., Vlugt, T. J. H., Denayer, J. F. M., Martens, J. A., & Maesen, T. L. M. (2004). Understanding the Role of Sodium during Adsorption: A Force Field for Alkanes in Sodium-Exchanged Faujasites. Journal of the American Chemical Society, 126(36), 11377-11386. https://doi.org/10.1021/ja0476056
  • Combe, N., Vlugt, T. J. H., ten Wolde, P. R., & Frenkel, D. (2003). Dynamic pruned-enriched Rosenbluth method. Molecular Physics, 101(11), 1675-1682. https://doi.org/10.1080/0026897031000094461
  • Schenk, M., Calero Diaz, S., Maesen, T. L. M., Vlugt, T. J. H., van Benthem, L. L., Verbeek, M. G., & Schnell, B. (2003). Shape selectivity through entropy. Journal of Catalysis, 214(1), 1-168. https://doi.org/10.1016/S0021-9517(02)00136-7
  • Open Access
    Beerdsen, E., Dubbeldam, D., Smit, B., Vlugt, T. J. H., & Calero Diaz, S. (2003). Simulating the Effect of Nonframework Cations on the Adsorption of Alkanes in MFI-type Zeolites. The journal of Physical Chemistry. B, 44, 12088-12096.
  • Vlugt, T. J. H., & Schenk, M. (2002). Influence of Framework Flexibility on the Adsorption Properties of Hydrocarbons in the Zeolite Silicalite. The journal of Physical Chemistry. B, 106, 12757-12763. https://doi.org/10.1021/jp0263931
  • Vlugt, T. J. H., & Smit, B. (2001). On the efficient sampling of pathways in the transition path ensemble. PhysChemComm, 2, 1-7. https://doi.org/10.1039/a900479c
  • Schenk, M., Smit, B., Vlugt, T. J. H., & Maesen, T. L. M. (2001). Shape selectivity in alkane hydroconversion. Angewandte Chemie, International Edition, 40, 736-738.
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