@misc{indiciae8d747153121c,
  title = {pyIAST: Ideal adsorbed solution theory (IAST) Python package},
  author = {Simon, Cory M. and Smit, Berend and Haranczyk, Maciej},
  year = {2016},
  doi = {10.1016/j.cpc.2015.11.016},
  url = {https://www.osti.gov/biblio/1246683},
  note = {Source identifier: 1246683}
}