most citedPredicting Solvation Free Energies in Non-Polar Solvents using Classical Density Functional Theory based on the PC-SAFT equation of state

10 citations · 10 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2021★ 10 cited

Predicting Solvation Free Energies in Non-Polar Solvents using Classical Density Functional Theory based on the PC-SAFT equation of state

Johannes Eller, Tanja Matzerath, Thijs van Westen +1

We propose a predictive Density Functional Theory (DFT) for the calculation of solvation free energies. Our approach is based on a Helmholtz free-energy functional that is consiste…