Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections - Sorbonne Université Access content directly
Journal Articles Journal of Physical Chemistry Letters Year : 2014

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hal-01308791 , version 1 (28-04-2016)

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Volodymyr P. Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque, Daniel Borgis. Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections. Journal of Physical Chemistry Letters, 2014, 5 (11), ⟨10.1021/jz500428s⟩. ⟨hal-01308791⟩
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