Predictions of solvation Gibbs free energies with COSMO-SAC approaches
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DOI: 10.1016/j.fluid.2020.112614
Abstract: Abstract The modelling of a detailed kinetics mechanism in the liquid phase is still not well understood, and the description of solvent effect on reaction rates remains a challenge. Green and co-workers proposed an approach… read more here.
Keywords: solvation; predictions solvation; free energies; gibbs free ... See more keywords