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- W2020677258 abstract "Molecular dynamics (MD) and the polarizable continuum model (PCM) in combination with the SMD solvation model were used to study the hydration free energy of the homologous series of polyols, C<sub>n</sub>H<sub>n+2</sub>(OH)<sub>n</sub> (1 ≤ <italic>n</italic> ≤ 7)." @default.
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- W2020677258 date "2014-01-01" @default.
- W2020677258 modified "2023-10-01" @default.
- W2020677258 title "Assessing the hydration free energy of a homologous series of polyols with classical and quantum mechanical solvation models" @default.
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- W2020677258 doi "https://doi.org/10.1039/c4cp02493a" @default.
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