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Weiliang Luo

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Theoretical and Computational Chemistry

Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling

Weiliang Luo, Gengmo Zhou, Zhengdan Zhu, Guolin Ke, Zhewei Wei, Zhifeng Gao, Hang Zheng

Version 1 posted 28 August 2023

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