Selectivity is an excellent property for the comparison between both worlds. Experimentally, the selectivity can be measured to quite a high precision (section 0). In the computations, the selectivity can be deduced from the ratio of barriers for reactions on GS and NGS, e.g., via an Arrhenius-type approach. When selectivity data is not available in a quantitative manner, the results of computations can be used in a qualitative sense ("precursor A reacts with GS and not with NGS in line with the observed ALD growth in the experiment"). However, a more direct connection between computational and lab experiments is desirable. This would allow better validation of the computational approaches and more direct feedback for experimental investigations to test new grounds. A typical way in ab initio theory is to connect via theoretical spectroscopy, i.e. the modeling of measurable spectroscopic quantities. However, this is rarely done up to now in AS-ALD modeling. Only one study modeled infrared spectroscopy results. In contrast to surface science investigations, where the modeling of spectroscopic and imaging measurements is typically done, there is room for development in AS-ALD research.