@misc{https://doi.org/10.4121/f30869d9-1300-4dae-aed8-da8992da6976.v1,
  doi = {10.4121/f30869d9-1300-4dae-aed8-da8992da6976.v1},
  url = {},
  author = {Polat, Mert and de Meyer, Frederick and Houriez, Celine and Moultos, Othonas A. and Vlugt, Thijs J.H.},
  keywords = {CO2, Molecular simulations, Chemical equilibrium, Brick-CFCMC, Chemical potential, H2S, MDEA},
  title = {Sample simulation files for: "Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software"},
  publisher = {4TU.ResearchData},
  year = {2023},
  copyright = {CC0},
}