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Explaining Giant Apparent $pK_a$ Shifts in Weak Polyelectrolyte Brushes

, , and . Phys. Rev. Lett., 131 (16): 168101 (October 2023)
DOI: 10.1103/PhysRevLett.131.168101

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Preprint: Reconstruction of NMR Relaxation Rates from Coarse-Grained Polymer Simulations, , , , and . (December 2022)Scripts and Data for " A Generalized Grand-Reaction-Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase", and . Software, (2023)Related to: David Beyer and Christian Holm. A Generalized Grand-Reaction Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase. doi: 10.48550/arXiv.2304.11967!.Correction to “Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning”, , , , , , and . Macromolecules, 55 (3): 1088--1088 (January 2022)Assessing the Validity of NMR Relaxation Rates Obtained from Coarse-Grained Simulations of PEG–Water Mixtures, , , , and . The Journal of Physical Chemistry B, 127 (25): 5601--5608 (June 2023)Simulations Explain the Swelling Behavior of Hydrogels with Alternating Neutral and Weakly Acidic Blocks, , and . Macromolecules, 55 (23): 10751--10760 (November 2022)Reconstruction of NMR Relaxation Rates from Coarse-Grained Polymer Simulations, , , , and . (December 2022)The pH-Dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution, , , , and . Macromolecules, 55 (8): 3176--3188 (February 2022)ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems, , , , , , , , and . Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, (2023)Reply to the ‘Comment on “Simulations of ionization equilibria in weak polyelectrolyte solutions and gels”’ by J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm and P. Košovan, Soft Matter, 2019, 15, 1155–1185, , , , , , , and . Soft Matter, 19 (19): 3522-3525 (2023)Explaining Giant Apparent $pK_a$ Shifts in Weak Polyelectrolyte Brushes, , and . Phys. Rev. Lett., 131 (16): 168101 (October 2023)