@misc{https://doi.org/10.4121/7fdc96f0-69ff-4c1a-be2b-8aa6a0a812cb.v1,
  doi = {10.4121/7fdc96f0-69ff-4c1a-be2b-8aa6a0a812cb.v1},
  url = {},
  author = {Sharma, Shrinjay and Yang, Ping and Liu, Yachan and Rossi, Kevin and Bai, Peng and Rigutto, Marcello S. and Zuidema, Erik and Agarwal, Umang and Baur, Richard and Calero, Sofia},
  keywords = {Alkanes, Hydroisomerization, Isomers, Machine learning, Henry coefficients, Zeolites, Thermodynamics},
  title = {Sample simulation files for "Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization"},
  publisher = {4TU.ResearchData},
  year = {2025},
  copyright = {CC BY 4.0},
}