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Bowen Han, Christine M. Isborn, and Liang Shi, "Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models," J. Chem. Theory Comput. 2021, https://pubs.acs.org/doi/full/10.1021/acs.jctc.0c01102
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Makenzie Provorse Long, Serra Alland, Madison E. Martin and Christine M. Isborn, "Molecular dynamics simulations of alkaline earth metal ions binding to DNA reveal ion size and hydration effects," Phys. Chem. Chem. Phys. 22, 5584-5596 (2020); https://doi.org/10.1039/C9CP06844A