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Results: 172
Number of items: 172
  • 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.
  • Open Access
    Dubbeldam, D. (2005). Computer-simulation of adsorption and diffusion of hydrocarbons in zeolites. [Thesis, fully internal, Universiteit van Amsterdam].
  • Dubbeldam, D., Maesen, T. L. M., & Smit, B. (2004). Reply to the Comment on "Computer Simulation of Incommensurate Diffusion in Zeolites: Understanding Window Effects". The journal of Physical Chemistry. B, 108(41), 16330. https://doi.org/10.1021/jp040487o
  • 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
  • Calero, S., Schenk, M., Dubbeldam, D., Maesen, T. L. M., & Smit, B. (2004). The selectivity of n-hexane hydroconversion on MOR-, MAZ-, and FAU-type zeolites. Journal of Catalysis, 228(1), 121-129. https://doi.org/10.1016/j.jcat.2004.08.019
  • 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
  • Krishna, R., van Baten, J. M., & Dubbeldam, D. (2004). On the Inflection in the Concentration Dependence of the Maxwell-Stefan diffusivity of CF4 in MFI zeolite. The journal of Physical Chemistry. B, 108, 14820-14822. https://doi.org/10.1021/jp0465682
  • Open Access
    Beerdsen, E., Smit, B., & Dubbeldam, D. (2004). Molecular Simulation of Loading Dependent Slow Diffusion in Confined Systems. Physical Review Letters, 93(24), 248301/1-248301/4.
  • Dubbeldam, D., Calero, S., Maesen, T. L. M., & Smit, B. (2003). Understanding the window effect in zeolite catalysis. Angewandte Chemie. International edition in English, 42(20), 3624-3626.
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