S-EPMC10901494 - Tracing mechanistic pathways and reaction kinetics toward equilibrium in reactive molten salts† † Electronic supplementary information (ESI) available: Mathematical definition of CNClAl, CNAlCl, nSharedCl, and nSharedAl; expression for survival probability correlation function; formalism of extended Marcus theory and corresponding parameters; details of PIM and AIMD simulations; details of Raman spectra calculations and alignment with experimental spectra; speciation and reaction analysis; species distribution at 66 mol% AlCl3 for Bias 1 and Bias 2; all RDFs; S(q) for the 58 mol% of AlCl3. See DOI: https://doi.org/10.1039/d3sc06587a