@article{doi:10.1021/acs.jctc.3c00144,
author = {Polat, H. Mert and de Meyer, Frédérick and Houriez, Céline and Moultos, Othonas A. and Vlugt, Thijs J. H.},
title = {Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software},
journal = {Journal of Chemical Theory and Computation},
volume = {19},
number = {9},
pages = {2616-2629},
year = {2023},
doi = {10.1021/acs.jctc.3c00144},
    note ={PMID: 37078869},

URL = { 
        https://doi.org/10.1021/acs.jctc.3c00144
    
},
eprint = { 
        https://doi.org/10.1021/acs.jctc.3c00144
    
}

}