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Results: 173
Number of items: 173
  • Open Access
    Rahbari, A., Poursaeidesfahani, A., Torres-Knoop, A., Dubbeldam, D., & Vlugt, T. J. H. (2018). Chemical potentials of water, methanol, carbon dioxide and hydrogen sulphide at low temperatures using continuous fractional component Gibbs ensemble Monte Carlo. Molecular Simulation, 44(5), 405-414. https://doi.org/10.1080/08927022.2017.1391385
  • 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
    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
    Heinen, J., & Dubbeldam, D. (2018). On flexible force fields for metal-organic frameworks: Recent developments and future prospects. Wiley interdisciplinary reviews. Computational molecular science , 8(4), Article e1363. https://doi.org/10.1002/wcms.1363
  • 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
  • Open Access
    Heinen, J. (2018). Multiscale modeling of metal-organic frameworks. [Thesis, fully internal, Universiteit van Amsterdam].
  • 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
    Becker, T. M., Heinen, J., Dubbeldam, D., Lin, L.-C., & Vlugt, T. J. H. (2017). Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74. The Journal of Physical Chemistry. C, 121(8), 4659-4673. https://doi.org/10.1021/acs.jpcc.6b12052
  • 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
    Heinen, J., Burtch, N. C., Walton, K. S., & Dubbeldam, D. (2017). Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor. Journal of Chemical Theory and Computation, 13(8), 3722-3730. https://doi.org/10.1021/acs.jctc.7b00310
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