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Results: 89
Number of items: 89
  • 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
    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
  • 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
  • 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
  • Open Access
    Ran, Y. A., Sharma, S., Balestra, S. R. G., Li, Z., Calero, S., Vlugt, T. J. H., Snurr, R. Q., & Dubbeldam, D. (2024). RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids. Journal of Chemical Physics, 161(11), Article 114106. https://doi.org/10.1063/5.0226249
  • 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
    Sharma, S., Sleijfer, J. J., Op de Beek, J., van der Zeeuw, S., Zorzos, D., Lasala, S., Rigutto, M. S., Zuidema, E., Agarwal, U., Baur, R., Calero, S., Dubbeldam, D., & Vlugt, T. J. H. (2024). Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization. Journal of Physical Chemistry B, 128(39), 9619-9629. https://doi.org/10.1021/acs.jpcb.4c05355
  • 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
  • Open Access
    Sharma, S., Baur, R., Rigutto, M., Zuidema, E., Agarwal, U., Calero, S., Dubbeldam, D., & Vlugt, T. J. H. (2024). Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization. Entropy, 26(12), Article 1120. https://doi.org/10.3390/e26121120
  • Open Access
    Wasik, D. O., Vicent-Luna, J. M., Luna-Triguero, A., Dubbeldam, D., Vlugt, T. J. H., & Calero, S. (2024). The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation. Separation and Purification Technology, 339, Article 126539. https://doi.org/10.1016/j.seppur.2024.126539
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