D. Beyer, and C. Holm. 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!.
J. Chalabala, F. Uhlig, and P. Slavicek. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory, 122 (12):
3227-3237(2018)
J. Finkbeiner, S. Tovey, and C. Holm. Dataset, (2024)Related to: Jan Finkbeiner, Samuel Tovey, Christian Holm: Generating Minimal Training Sets for Machine Learned Potentials (2023). arXiv: 2309.03840.