Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling
, Authors:
Weiliang Luo, Gengmo Zhou, Zhengdan Zhu, Guolin Ke, Zhewei Wei, Zhifeng Gao, Hang Zheng
Version 1 posted 28 August 2023
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