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Solvation Database

Solvation thermodynamics data (Gibbs free energy, Enthalpy, Entropy)

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Data from:

Carvalho, N. F.; Pliego, J. R., Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale. Physical Chemistry Chemical Physics 2015.

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Solvation data for neutral solutes in methanol, acetonitrile and dimethyl sulfoxide (click here)

Data from:

Zanith, C. C.; Pliego, J. R., Jr., Performance of the SMD and SM8 models for predicting solvation free energy of neutral solutes in methanol, dimethyl sulfoxide and acetonitrile. J Comput Aided Mol Des 2015, 29, 217-224.

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Última atualização: 27/10/2016