AIP Publishing
Browse
Ion_Association_CaCO3_SI.pdf (6.02 MB)

Supplementary Information

Download (6.02 MB)
figure
posted on 2024-07-01, 04:10 authored by Yue Li, Jiarui Zhang, Hongbo Zeng, Hao Zhang
supplementary 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.

History

Usage metrics

    Journal of Chemical Physics

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC