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Results: 173
Number of items: 173
  • Open Access
    Liu, Y. (2026). Elucidating reaction mechanisms in water oxidation catalysis by molecular simulation. [Thesis, fully internal, Universiteit van Amsterdam].
  • Ran, Y. A., Dubbeldam, D., Vlugt, T. J. H., & Calero Diaz, S. (2025, September 17). Data accompanying "Matching Pure and Mixture Isotherms using an Invertible Autoencoder". [Data set]. Universiteit van Amsterdam. https://doi.org/10.21942/uva.30148591.v1
  • Open Access
    Dubbeldam, D., Calero, S., Snurr, R. Q., & Vlugt, T. J. H. (2025). The RASPA2024 workshop in Delft, The Netherlands. Molecular Physics, 123(21-22), Article e2558904. https://doi.org/10.1080/00268976.2025.2558904
  • Open Access
    van 't Hoff, T. E. (2025). Modeling emerging polymeric and biological networks with random graphs. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Gooijer, S., Capelo-Avilés, S., Sharma, S., Giancola, S., Galán-Mascaros, J. R., Vlugt, T. J. H., Dubbeldam, D., Vicent-Luna, J. M., & Calero, S. (2025). TAMOF-1 for capture and separation of the main flue gas components. Journal of Materials Chemistry A, 13(22), 16879-16892. https://doi.org/10.1039/d5ta01362c
  • Ran, Y., Sharma, S., Balestra, S., Li, Z., Calero Diaz, S., Vlugt, T. J. H., Snurr, R., & Dubbeldam, D. (2024). Supporting Information RASPA3: A Monte Carlo Code for Computing Adsorption and Diffusion in Nanoporous Materials and Thermodynamics Properties of Fluids [Data set]. AIP Publishing. https://doi.org/10.60893/figshare.jcp.26896942.v1
  • Sharma, S., Rigutto, M. S., Zuidema, E., Agarwal, U., Baur, R., Dubbeldam, D., & Vlugt, T. J. H. (2024). SI part 1 - Supplementary information: Understanding Shape Selectivity Effects of Hydroisomerization using a Reaction Equilibrium Model [Data set]. AIP Publishing. https://doi.org/10.60893/figshare.jcp.25733850.v1
  • Sharma, S., Rigutto, M. S., Zuidema, E., Agarwal, U., Baur, R., Dubbeldam, D., & Vlugt, T. J. H. (2024). SI part 2 - Supplementary information: Understanding Shape Selectivity Effects of Hydroisomerization using a Reaction Equilibrium Model [Data set]. AIP Publishing. https://doi.org/10.60893/figshare.jcp.25733853.v1
  • Open Access
    Acuna-Yeomans, E., Gutiérrez-Sevillano, J. J., Dubbeldam, D., & Calero, S. (2024). A simulation study of linker vacancy distribution and its effect on UiO-66 stability. Microporous and Mesoporous Materials, 366, Article 112922. https://doi.org/10.1016/j.micromeso.2023.112922
  • Open Access
    Acuna-Yeomans, E., Goosen, P. J., Gutierrez-Sevillano, J. J., Dubbeldam, D., & Calero, S. (2024). Effect of water loading on the stability of pristine and defective UiO-66. Journal of Materials Chemistry A, 12(37), 25233-25243. https://doi.org/10.1039/d4ta04252b
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