Free-Energy Calculations of Ionic Hydration Consistent with the Experimental Hydration Free Energy of the Proton.

Zhang H, Jiang Y, Yan H, Yin C, Tan T, van der Spoel D

J Phys Chem Lett 8 (12) 2705-2712 [2017-06-15; online 2017-06-06]

Computational free-energy correction strategies and the choice of experimental proton hydration free energy, ΔG

Affiliated researcher

PubMed 28561580

DOI 10.1021/acs.jpclett.7b01125

Crossref 10.1021/acs.jpclett.7b01125

Publications 9.5.0