posted on 2025-02-10, 05:07authored byAyaki Sunaga
The supplementary material includes employed masses, convergence tests for DVR grid points, added tight exponents for PEC and PV curves, reliability of the enhancement mechanism, PECs, wavefunctions, and PV curves of the other CXYZOH molecules, torsional quantum number for CXYZOH molecules, and comparison with another DFT functional.