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

Jonas Landsgesell; Oleg Rud; Pascal Hebbeker; Raju Lunkad; Peter Košovan; Christian Holm

doi:10.26434/chemrxiv.9741746.v2

Physical Chemistry

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

23 September 2019, Version 2

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Abstract

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.

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