Figure 3
Comparison of solute–solvent cross terms obtained from MD simulations (black curves) and the hard-spheres approximation method (red curves) for various reactions. The difference scattering intensity, ΔS(q), is for one solute molecule and divided by the scattering intensity of a single electron. As a result, ΔS(q) is in electron units (e.u.) per solute molecule. |