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Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt-water mixtures

Franz Waibl, Johannes Kraml, Monica L. Fernández-Quintero, Johannes R. Loeffler, Klaus R. Liedl. Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt-water mixtures. Journal of Computer-Aided Molecular Design, 36(2):101-116, 2022. [doi]

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Franz Waibl

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Johannes Kraml

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Monica L. Fernández-Quintero

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Johannes R. Loeffler

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Klaus R. Liedl

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