Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	16148-16156
Number of pages	9
Journal	Journal of Physical Chemistry B
Volume	117
Issue number	50
DOIs	https://doi.org/10.1021/jp404699t
Publication status	Published - 19 Dec 2013

MOLECULAR-DYNAMICS SIMULATION, VAPOR INTERFACE, LIQUID/LIQUID INTERFACES, WATER-VAPOR, POTENTIAL FUNCTIONS, CHEMICAL-REACTIONS, DENSITY PROFILES, ORGANIC-SOLVENT, MD SIMULATIONS, ITIM ANALYSIS

ID: 921529