Supplementary Information
figure
posted on 2024-07-01, 04:10 authored by Yue Li, Jiarui Zhang, Hongbo Zeng, Hao Zhangsupplementary material for fraction of carbonate species and calcium species in dependence of the pH value, Binding of H2O molecule and OH- ion to Ca(H2O)n 2+ clusters, MetaD convergence tests, and free energy profiles along the reaction pathways.
