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May 10, 2024The Journal of Chemical PhysicsOpen Access

Ion solvation free energy calculations based on first-principles molecular dynamics thermodynamic integration

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CLChao LinBeihang UniversityXHXiao-Jun HeChinese Academy of SciencesCXCong XiTianjin University of Technology

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Lin et al. (2024) studied this question.

synapsesocial.com/papers/68e6ab1eb6db64358762d41ahttps://doi.org/10.1063/5.0191068
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