Physical Chemistry

Grand-Reaction Method for Simulations of Ionization Equilibria and Ion Partitioning in a Broad Range of pH and Ionic Strength


On 16th September 2019 we found a major flaw in the original manuscript, that has been uploaded to ChemRXiv. To prevent readers from implementing and using a flawed algorithm, we decided to replace the manuscript with this notice. We anticipate to upload a corrected version within few weeks.


Thumbnail image of main-retracted.pdf