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Results: 173
Number of items: 173
  • Open Access
    Caro-Ortiz, S., Hens, R., Zuidema, E., Rigutto, M., Dubbeldam, D., & Vlugt, T. J. H. (2019). Molecular simulation of the vapor-liquid equilibria of xylene mixtures: Force field performance, and Wolf vs. Ewald for electrostatic interactions. Fluid Phase Equilibria, 485, 239-247. https://doi.org/10.1016/j.fluid.2018.12.006
  • Teat, S. J., Tang, Y., Tasiopoulos, A. J., Dubbeldam, D., Kourtellaris, A., Rothenberg, G., & Grecea, S. (2018). CCDC 1582902: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1q44cc
  • Teat, S. J., Rothenberg, G., Tang, Y., Grecea, S., Kourtellaris, A., Dubbeldam, D., & Tasiopoulos, A. J. (2018). CCDC 1582901: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1q44bb
  • Rothenberg, G., Kourtellaris, A., Teat, S. J., Dubbeldam, D., Tang, Y., Tasiopoulos, A. J., & Grecea, S. (2018). CCDC 1586997: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1q8dgv
  • Dubbeldam, D., Teat, S. J., Tasiopoulos, A. J., Grecea, S., Kourtellaris, A., Tang, Y., & Rothenberg, G. (2018). CCDC 1582903: Experimental Crystal Structure Determination [Data set]. The Cambridge Structural Database. https://doi.org/10.5517/ccdc.csd.cc1q44dd
  • 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., Lin, L.-C., Dubbeldam, D., & Vlugt, T. J. H. (2018). Polarizable Force Field for CO2 in M-MOF-74 Derived from Quantum Mechanics. Journal of Physical Chemistry C, 122(42), 24488-24498. https://doi.org/10.1021/acs.jpcc.8b08639
  • 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
    Tang, Y., Kourtellaris, A., Tasiopoulos, A. J., Teat, S. J., Dubbeldam, D., Rothenberg, G., & Tanase, S. (2018). Selective CO2 adsorption in water-stable alkaline-earth based metal–organic frameworks. Inorganic Chemistry Frontiers, 5(3), 541-549. https://doi.org/10.1039/c7qi00734e
  • Open Access
    Heinen, J. (2018). Multiscale modeling of metal-organic frameworks. [Thesis, fully internal, Universiteit van Amsterdam].
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