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Predictions of solvation Gibbs free energies with COSMO-SAC approaches

Chourouk Nait Saidi, Detlev Conrad Mielczarek, Patrice Paricaud

2020Fluid Phase Equilibria20 citationsDOI

Topics & Concepts

SolvationChemistryThermodynamicsGibbs free energyKinetic energyWork (physics)Implicit solvationStatistical physicsComputational chemistryPhysical chemistrySolventOrganic chemistryPhysicsQuantum mechanicsFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical StudiesThermal and Kinetic Analysis
Predictions of solvation Gibbs free energies with COSMO-SAC approaches | Litcius