Accelerating Computation of Acidity Constants and Redox Potentials for Aqueous Organic Redox Flow Batteries by Machine Learning Potential-Based Molecular Dynamics.
Autor: | Wang, Feng, Ma, Zebing, Cheng, Jun |
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Zdroj: | Journal of the American Chemical Society; 5/29/2024, Vol. 146 Issue 21, p14566-14575, 10p |
Databáze: | Supplemental Index |
Externí odkaz: |