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Category: Physical Chemistry

How to Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations

, Authors: David Beyer, Pablo M. Blanco, Jonas Landsgesell, Peter Kosovan, Christian Holm

Version 3 posted 17 December 2024

331

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Category: Theoretical and Computational Chemistry

pKa Prediction in Non-Aqueous Solvents

, Authors: Jonathan W. Zheng, Emad Al Ibrahim, Ivari Kaljurand, Ivo Leito, William H. Green

Version 3 posted 20 November 2024

874

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ISSN 2573-2293 (Online) ChemRxiv Archive

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