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Results: 173
Number of items: 173
  • Open Access
    Heinen, J., Ready, A. D., Bennett, T. D., Dubbeldam, D., Friddle, R. W., & Burtch, N. C. (2018). Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal Organic Framework. ACS Applied Materials and Interfaces, 10(25), 21079-21083. https://doi.org/10.1021/acsami.8b06604
  • Open Access
    Burtch, N. C., Heinen, J., Bennett, T. D., Dubbeldam, D., & Allendorf, M. D. (2018). Mechanical Properties in Metal-Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications. Advanced materials, 30(37), Article 1704124. https://doi.org/10.1002/adma.201704124
  • Open Access
    Matito-Martos, I., Rahbari, A., Martin-Calvo, A., Dubbeldam, D., Vlugt, T. J. H., & Calero, S. (2018). Adsorption equilibrium of nitrogen dioxide in porous materials. Physical Chemistry Chemical Physics, 20(6), 4189-4199. https://doi.org/10.1039/c7cp08017d
  • Open Access
    Dubbeldam, D., Calero, S., & Vlugt, T. J. H. (2018). iRASPA: GPU-accelerated visualization software for materials scientists. Molecular Simulation, 44(8), 653-676. https://doi.org/10.1080/08927022.2018.1426855
  • Open Access
    Rahbari, A., Hens, R., Nikolaidis, I. K., Poursaeidesfahani, A., Ramdin, M., Economou, I. G., Moultos, O. A., Dubbeldam, D., & Vlugt, T. J. H. (2018). Computation of partial molar properties using continuous fractional component Monte Carlo. Molecular Physics, 116(21-22), 3331-3344. https://doi.org/10.1080/00268976.2018.1451663
  • Open Access
    Becker, T. M., Wang, M., Kabra, A., Jamali, S. H., Ramdin, M., Dubbeldam, D., Infante Ferreira, C. A., & Vlugt, T. J. H. (2018). Absorption Refrigeration Cycles with Ammonia-Ionic Liquid Working Pairs Studied by Molecular Simulation. Industrial & Engineering Chemistry Research, 57(15), 5442-5452. https://doi.org/10.1021/acs.iecr.8b00442
  • Poursaeidesfahani, A., Rahbari, A., Torres-Knoop, A., Dubbeldam, D., & Vlugt, T. J. H. (2017). Computation of thermodynamic properties in the continuous fractional component Monte Carlo Gibbs ensemble. Molecular Simulation, 43(3), 189-195. https://doi.org/10.1080/08927022.2016.1244607
  • Open Access
    Jamali, S. H., Ramdin, M., Becker, T. M., Torres-Knoop, A., Dubbeldam, D., Buijs, W., & Vlugt, T. J. H. (2017). Solubility of sulfur compounds in commercial physical solvents and an ionic liquid from Monte Carlo simulations. Fluid Phase Equilibria, 433, 50-55. https://doi.org/10.1016/j.fluid.2016.11.015
  • Open Access
    Luna-Triguero, A., Vicent-Luna, J. M., Becker, T. M., Vlugt, T. J. H., Dubbeldam, D., Gómez-Álvarez, P., & Calero, S. (2017). Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)-MOF-74. ChemistrySelect, 2(2), 665-672. https://doi.org/10.1002/slct.201601095
  • Open Access
    Torres-Knoop, A., Poursaeidesfahani, A., Vlugt, T. J. H., & Dubbeldam, D. (2017). Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions. Journal of Chemical Theory and Computation, 13(7), 3326-3339. https://doi.org/10.1021/acs.jctc.6b01193
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