Entropy (Basel, Switzerland)
Predicting the Redox Potentials and Hammett Parameters of Quinone Derivatives with the Information-Theoretic Approach.
Mingxin Xu, Yilin Zhao, Hui Li, Paul W Ayers, Dandan Liu, Qingchun Wang, Dongbo Zhao
Published: 202610.3390/e28010067
Abstract
Accurately and efficiently predicting redox potentials and Hammett constants using simple density-based functions derived from information-theoretic approach (ITA) quantities remains an unresolved challenge. In this work, we employ two recently propo…
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