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Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS2024 Fluid Phase Equilibria article Physics and Astronomy Advanced Chemical Physics Studies Open access
Simon Müller, Thomas Nevolianis, Miquel García‐Ratés, Christoph Riplinger, Kai O. Leonhard, Irina V. Smirnova
41citations -
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS2024 arXiv (Cornell University) preprint Physics and Astronomy Advanced Chemical Physics Studies Open access
Simon Müller, Thomas Nevolianis, Miquel García‐Ratés, Christoph Riplinger, Kai O. Leonhard, Irina V. Smirnova
0citations -
Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids2023 Computers & Chemical Engineering article Chemical Engineering Ionic liquids properties and applications Open access
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
86citations -
Graph Neural Networks for Temperature-Dependent Activity Coefficient Prediction of Solutes in Ionic Liquids2022 RWTH Publications (RWTH Aachen) article Chemical Engineering Ionic liquids properties and applications Open access
Jan G. Rittig, Karim Ben Hicham, Artur M. Schweidtmann, Manuel Dahmen, Alexander Mitsos
2citations
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