Our previous work was limited to structural characterization of the ions in question, along with a detailed examination of their ionization energies in order to make contact with liquid microjet photoelectron spectroscopy . The present work adds an energetic component to this analysis. Specifically, we compute anion-water interaction energies for the same set of monovalent anions that we considered previously: Cl -, Br -, I -, CN -, OCN -, SCN -, NO - 2 , NO - 3 , and ClO - n (n = 1, 2, 3, 4). Some of these are typical surfaceactive ions (e.g., Br -, I -, SCN -, and ClO - 4 ), whereas others such as CN -, OCN -, and NO - 2 visit the interface much less frequently, according to the MD simulations , and are not classified as surface-active. Intermediate cases where the surface activity is weak, or where experimental consensus is lacking, include Cl -and NO - 3 . Amongst these ions, our simulations indicate that even the ones that are not considered surface active nevertheless spend enough time near the air/water interface that it is possible to assemble an interfacial data set for them, and these cases offer a useful comparison to the canonical surface-active anions.