Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections

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https://hal.sorbonne-universite.fr/hal-01308791
Contributor : Maximilien Levesque <>
Submitted on : Thursday, April 28, 2016 - 2:27:49 PM
Last modification on : Thursday, March 21, 2019 - 1:10:26 PM

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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, American Chemical Society, 2014, 5 (11), ⟨10.1021/jz500428s⟩. ⟨hal-01308791⟩

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