Next, we calculated the internuclear distances between the central H atom and all Cl nuclei that were randomly positioned based on the Monte Carlo procedure discussed above for all models (see Figure ). Multi-spin 1 H-35 Cl DE-RESPDOR numerical simulations were performed for all 1 H- Cl spin pairs within a 5 Å distance. A cut-off of 5 Å was chosen to limit the maxmium spin system to 1 1 H nucleus and 3 Cl nuclei for computational time purposes while also accounting for the closest 1 H- Cl dipolar interactions that will most significantly contribute to the dephasing curve. We then averaged over all the numerically simulated RESPDOR dephasing curves for the 20 models to obtain a curve that accurately represents a random distribution of SiSi3Cl that is present in the experimentally studied sample (Figure ). Lastly, we performed a two-spin 1 H- Cl numerical simualtion to account for the long-range 1 H- Cl dipolar interactions for 1 H- Cl spin pairs with a distance of > 5 Å. The 1 H- Cl dipolar coupling used for the two-spin numerical simulation was chosen by calculating the root sum square of the dipolar coupling constants /0𝐷 $%& " 2 for all 20 models with 1 H- Cl distance > 5 Å.