clusters of sulfuric acid and organic molecules 110 Fig. A highly oxygenated organic molecule (HOM) 116 was only represented by one conformer to speed up the CS. Due to the inherent flexibility of organic molecules, employing multiple representative conformers (e.g., found via the Spartan program 117 ) or using CREST 32 is advisable. Furthermore, assessing the reactivity within such clusters is crucial due to the presence of reactive functional groups, potentially participating in proton transfer.