The analysis of the solvation dynamics is done through TD-3D-SDFs evaluated from a molecular perspective, where the solute coordinates are aligned to a reference structure at every time step. While previously, TD-3D-SDFs were constructed as simple 3D histograms, in this work we employed a kernel density estimation, which, although computationally more costly, provides smoother distributions compared to histograms for the same number of data points. The density estimation is based on a Gaussian kernel: