The neutron scattering experiments described above provide a simple and robust signal that reports exclusively on a single correlation between the two ions, and thus probes very sensitively ion pairing in the solution. However, molecular interpretation of this signal is not straightforward. To gain additional insights, we complemented these experiments with molecular simulations, in line with several prior works where this combination provided valuable insights into the structure of electrolytes and ion pairing in solution. Molecular dynamics simulations of TMA-Ac at the experimental concentration have been performed using various force fields, based either on the CHARMM36 or AMBER99SB force fields. In addition to the original full charge version of these force fields, we derived variants following the Electronic Continuum Correction (ECC) strategy of using scaled charges to effectively take into account electronic polarization (see Methods). This approach was previously demonstrated to significantly improve the description of ion pairing in electrolyte solutions. Two different scaling factors (0.75 or 0.85) were tested, as previous work suggested that the original 0.75 scaling factor may in some cases underestimate the strength of ion pairing. 80 For each force field we evaluated the radial distribution function ∆∆G H TMA H Ac (r). A