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Results: 89
Number of items: 89
  • 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
  • Maesen, T. L. M., Calero, S., Schenk, M., & Smit, B. (2004). Alkane hydrocracking: shape selectivity or kinetics? Journal of Catalysis, 221(1), 241-251. https://doi.org/10.1016/j.jcat.2003.07.003
  • Calero, S., Lago, S., van Gunsteren, W. F., & Daura, X. (2004). Modelling of the Complex between a 15-Residue Peptide from mSos2 and the N-Terminal SH3 Domain of Grb2 by Molecular-Dynamics Simulation. Chemistry & Biodiversity, 1(3), 505-519. https://doi.org/10.1002/cbdv.200490044
  • Denayer, J. F. M., Ocakoglu, R. A., Huybrechts, W., Dejonckheere, B., Jacobs, P., Calero, S., Krishna, R., Smit, B., Baron, G. V., & Martens, J. A. (2003). High-pressure liquid phase hydroconversion of heptane/nonane mixtures on Pt/H-Y zeolite catalyst. Journal of Catalysis, 220(1), 66-73. https://doi.org/10.1016/S0021-9517(03)00239-2
  • 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.
  • 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
  • Lago, S., López-Vidal, S., Garzón, B., Mejías, J. A., Anta, J. A., & Calero Diaz, S. (2003). Structure of liquids composed of shifted dipole linear molecules. Physical Review E, 68, 021201-1-021201-4.
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