SUPPLEMENTARING MATERIAL
dataset
posted on 2024-10-10, 12:05 authored by Gema Raposo-Hernández, Rafael Pappalardo, Florent Réal, Valerie Vallet, Enrique Sánchez MarcosMCDHO2 force-field model, Ion-Water model, Distribution of the O-H distances in the Ce3+ aqua ions, Example of ORCA input file, Effect of CPCM in the theoretical UV-vis spectra, Comparison of absolute intensities, Test of convergence of the reconstructed spectrum
