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Results: 89
Number of items: 89
  • Open Access
    Dubbeldam, D., Calero, S., Ellis, D. E., & Snurr, R. Q. (2016). RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials. Molecular Simulation, 42(2), 81-101. https://doi.org/10.1080/08927022.2015.1010082
  • Gutiérrez-Sevillano, J. J., Calero, S., & Krishna, R. (2015). Separation of benzene from mixtures with water, methanol, ethanol, and acetone: highlighting hydrogen bonding and molecular clustering influences in CuBTC. Physical Chemistry Chemical Physics, 17(31), 20114-20124. https://doi.org/10.1039/c5cp02726h
  • Gutiérrez-Sevillano, J. J., Calero, S., & Krishna, R. (2015). Selective Adsorption of Water from Mixtures with 1-Alcohols by Exploitation of Molecular Packing Effects in CuBTC. The Journal of Physical Chemistry. C, 119(7), 3658-3666. https://doi.org/10.1021/jp512853w
  • Open Access
    Torres-Knoop, A., Balestra, S. R. G., Krishna, R., Calero, S., & Dubbeldam, D. (2015). Entropic Separations of Mixtures of Aromatics by Selective Face-to-Face Molecular Stacking in One-Dimensional Channels of Metal-Organic Frameworks and Zeolites. ChemPhysChem, 16(3), 532-535. https://doi.org/10.1002/cphc.201402819
  • Open Access
    Bueno-Perez, R., Gutiérrez-Sevillano, J. J., Dubbeldam, D., Merkling, P. J., & Calero, S. (2015). Separation of amyl alcohol isomers in ZIF-77. ChemPhysChem, 16(13), 2735-2738. https://doi.org/10.1002/cphc.201500319
  • Open Access
    Balestra, S. R. G., Hamad, S., Ruiz-Salvador, A. R., Domínguez-García, V., Merkling, P. J., Dubbeldam, D., & Calero, S. (2015). Understanding nanopore window distortions in the reversible molecular valve zeolite RHO. Chemistry of Materials, 27(16), 5657-5667. https://doi.org/10.1021/acs.chemmater.5b02103
  • Open Access
    Luna-Triguero, A., Vicent-Luna, J. M., Dubbeldam, D., Gómez-Álvarez, P., & Calero, S. (2015). Understanding and Exploiting Window Effects for Adsorption and Separations of Hydrocarbons. The Journal of Physical Chemistry. C, 119(33), 19236-19243. https://doi.org/10.1021/acs.jpcc.5b05597
  • Dubbeldam, D., Calero, S., & Vlugt, T. J. H. (2014). Exploring new methods and materials for enantioselective separations and catalysis. Molecular Simulation, 40(7-9), 585-598. https://doi.org/10.1080/08927022.2013.829225
  • Open Access
    Bueno-Perez, R., Martin-Calvo, A., Gómez-Álvarez, P., Gutiérrez-Sevillano, J. J., Merkling, P. J., Vlugt, T. J. H., van Erp, T. S., Dubbeldam, D., & Calero, S. (2014). Enantioselective adsorption of ibuprofen and lysine in metal-organic frameworks. Chemical Communications, 50(74), 10849-10852. https://doi.org/10.1039/c4cc03745f
  • Balestra, S. R. G., Gutiérrez Sevillano, J. J., Merkling, P. J., Dubbeldam, D., & Calero, S. (2013). Simulation Study of Structural Changes in Zeolite RHO. The Journal of Physical Chemistry. C, 117(22), 11592-11599. https://doi.org/10.1021/jp4026283
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