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Results: 173
Number of items: 173
  • Open Access
    Matito-Martos, I., García-Reyes, J., Martin-Calvo, A., Dubbeldam, D., & Calero, S. (2019). Improving Ammonia Production Using Zeolites. Journal of Physical Chemistry C, 123(30), 18475-18481. https://doi.org/10.1021/acs.jpcc.9b05366
  • 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
    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
    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
    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
    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
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