Supporting Information: Solute Configurations in n-hexane, cyclohexane and benzenehttps://doi.org/10.18419/darus-1734Eller, JohannesMatzerath, Tanjavan Westen, ThijsGross, JoachimDaRUS2021-06-232021-06-23T13:53:35ZThis data set contains the intramolecular configurations of the considered solute molecules in n-hexane, cyclohexane and benzene used to calculate solvation free energies using classical density functional theory based on the PC-SAFT equation of state. The files include the cartesian coordinates (x,y,z) and atom types of the General Amber Force Field for all atomistic interactions sites.EngineeringPhysicsEller, J., Matzerath, T., van Westen, T., & Gross, J. (2021). Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state. The Journal of chemical physics, 154(24), 244106., doi, 10.1063/5.0051201, https://doi.org/10.1063/5.00512012021-06-23Eller, Johannes2021-03-16CC BY 4.0