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
Zdroj: Journal of the American Chemical Society; 5/29/2024, Vol. 146 Issue 21, p14566-14575, 10p
Databáze: Supplemental Index