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Results: 22
Number of items: 22
  • Open Access
    Burtch, N. C., Walton, I. M., Hungerford, J. T., Morelock, C. R., Jiao, Y., Heinen, J., Chen, Y.-S., Yakovenko, A. A., Xu, W., Dubbeldam, D., & Walton, K. S. (2020). In situ visualization of loading-dependent water effects in a stable metal–organic framework. Nature Chemistry, 12(2), 186–192. https://doi.org/10.1038/s41557-019-0374-y
  • Open Access
    Burtch, N. C., Baxter, S. J., Heinen, J., Bird, A., Schneemann, A., Dubbeldam, D., & Wilkinson, A. P. (2019). Negative Thermal Expansion Design Strategies in a Diverse Series of Metal-Organic Frameworks. Advanced Functional Materials, 29(48), Article 1904669. https://doi.org/10.1002/adfm.201904669
  • Open Access
    Lahnsteiner, J., Kresse, G., Heinen, J., & Bokdam, M. (2018). Finite-temperature structure of the MAPbI3 perovskite: Comparing density functional approximations and force fields to experiment. Physical Review B, 2(7), Article 073604. https://doi.org/10.1103/PhysRevMaterials.2.073604
  • 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., 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. (2018). Multiscale modeling of metal-organic frameworks. [Thesis, fully internal, Universiteit van Amsterdam].
  • 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., 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
    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
  • Heinen, J., Burtch, N. C., Walton, K. S., Fonseca Guerra, C., & Dubbeldam, D. (2016). Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory. Chemistry-A European Journal, 22(50), 18045-18050. https://doi.org/10.1002/chem.201603895
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