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

revised on 19.09.2019 and posted on 23.09.2019 by Jonas Landsgesell, Oleg Rud, Pascal Hebbeker, Raju Lunkad, Peter Košovan, Christian Holm
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.


Czech Science foundation, grant 17-02411Y

Grant agency of the Charles University, GAUK 978218

German Research Foundation (DFG) - 423435431 as part of FOR2811 and from DFG through Grants HO 1108/26-1 and AR 593/7-1


Email Address of Submitting Author


Charles University


Czech Republic

ORCID For Submitting Author


Declaration of Conflict of Interest

The authors declare no conflict of interest.