@article{BCE2020,
 author = {Christoph Bannwarth and Eike Caldeweyher and Sebastian Ehlert and Andreas Hansen and Philipp Pracht and Jakob Seibert and Sebastian Spicher and Stefan Grimme},
 doi = {10.1002/wcms.1493},
 journal = {{WIREs} Computational Molecular Science},
 month = {aug},
 number = {2},
 publisher = {Wiley},
 title = {Extended tight-binding quantum chemistry methods},
 url = {https://doi.org/10.1002/wcms.1493},
 volume = {11},
 year = {2020}
}

@article{BEG2019,
 author = {Christoph Bannwarth and Sebastian Ehlert and Stefan Grimme},
 doi = {10.1021/acs.jctc.8b01176},
 journal = {Journal of Chemical Theory and Computation},
 month = {feb},
 number = {3},
 pages = {1652--1671},
 publisher = {American Chemical Society ({ACS})},
 title = {{GFN}2-{xTB}{\textemdash}An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions},
 url = {https://doi.org/10.1021/acs.jctc.8b01176},
 volume = {15},
 year = {2019}
}

@article{rdkit,
 title = {RDKit: Open-source cheminformatics},
 url = {https://rdkit.org},
 year = {2021}
}