AIP Publishing
Browse
SI_data.zip (18.26 kB)

Total energies, electric field and electric field gradient

Download (18.26 kB)
dataset
posted on 2024-07-01, 04:09 authored by Grégoire David, Andrew Wibowo-Teale, David Rogers
CASPT2/TZP energy, norm of the electric field and ground-state electric field gradient with distance for each coat molecule.

History

Usage metrics

    Journal of Chemical Physics

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC