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Results: 96
Number of items: 96
  • 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
    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
    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
    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
    Sharma, S., Rigutto, M. S., Zuidema, E., Agarwal, U., Baur, R., Dubbeldam, D., & Vlugt, T. J. H. (2024). Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model. Journal of Chemical Physics, 160(21), Article 214708. https://doi.org/10.1063/5.0209210
  • 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
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