In most cases, the expression given in Equation ( ) can describe experimental observations ligands with experimental data was observed. Building on these initial simulations, the effect of strain on the structure was investigated in further studies, revealing that the number of all-trans in contrast to gauche linkers dominated the elasticity of the films. In contrast to alkanedithiol ligands, where the ligands at the interfaces mainly cross-link the surfaces, more variables such as the ligand interdigitation or the more broadly varying ligand coverage need to be considered when simulating alkanemonothiol GNPs. Several theoretical studies were aimed at understanding the interactions of two or several nanocrystals capped with alkanemonothiol ligands using MD simulations with united-atom approaches, where SH, CH 2 , and CH 3 groups were treated as united atoms, revealing either strong or little interdigitation of the ligands. Furthermore, both Liu et al. and Liepold et al. found a significant correlation between the ligand coverage and the interparticle spacing of two alkanethiol-capped nanocrystals. In both works, the distance was shown to increase with increasing coverage (from nearly 0 Å for low coverages to 7 Å for nanocrystals fully coated with dodecanethiol, or by 0.5 to 0.6 Å per 5 % increase in ligand coverage ).