References

References#

[1]

Andreas Klamt. Conductor-like screening model for real solvents: a new approach to the quantitative calculation of solvation phenomena. The Journal of Physical Chemistry, 99(7):2224–2235, 1995.

[2]

Andreas Klamt, Volker Jonas, Thorsten Bürger, and John C. W. Lohrenz. Refinement and parametrization of cosmo-rs. The Journal of Physical Chemistry A, 102(26):5074–5085, 1998. URL: https://doi.org/10.1021/jp980017s, doi:10.1021/jp980017s.

[3]

Frank Eckert and Andreas Klamt. Fast solvent screening via quantum chemistry: cosmo-rs approach. AIChE Journal, 48(2):369 – 385, 2002. Cited by: 1525. URL: https://www.scopus.com/inward/record.uri?eid=2-s2.0-0036473751&doi=10.1002%2faic.690480220&partnerID=40&md5=d6538adf91234e601249012367b29980, doi:10.1002/aic.690480220.

[4]

Thomas Gerlach, Simon Müller, Andrés González de Castilla, and Irina Smirnova. An open source cosmo-rs implementation and parameterization supporting the efficient implementation of multiple segment descriptors. Fluid Phase Equilibria, 560:113472, 2022. URL: https://www.sciencedirect.com/science/article/pii/S0378381222000954, doi:https://doi.org/10.1016/j.fluid.2022.113472.

[5]

Simon Müller, Thomas Nevolianis, Miquel Garcia-Ratés, Christoph Riplinger, Kai Leonhard, and Irina Smirnova. Predicting solvation free energies for neutral molecules in any solvent with opencosmo-rs. Fluid Phase Equilibria, 589:114250, 2025. URL: https://www.sciencedirect.com/science/article/pii/S0378381224002255, doi:https://doi.org/10.1016/j.fluid.2024.114250.

[6]

Jean-Paul Ebejer, Garrett M. Morris, and Charlotte M. Deane. Freely available conformer generation methods: how good are they? Journal of Chemical Information and Modeling, 52(5):1146–1158, 2012. PMID: 22482737. URL: https://doi.org/10.1021/ci2004658, arXiv:https://doi.org/10.1021/ci2004658, doi:10.1021/ci2004658.