posted on 2024-06-05, 11:56authored byChia-Li Liao, Syed Mohammed Faizanuddin, Jun Haruyama, Wei-Ssu Liao, Yu-Chieh Wen
Detailed fitting information (complete set of fitting parameters, and mode-specific contributions for C11 thiol spectra in PPP and SSP polarizations) and computational details for DFT calculations are provided in the supplementary material.