Toward understanding the role of water molecules in the uptake of nitrosyl hydride by sulfuric acid aerosols: A computational study

- The positive role of water molecules in the uptake of the HNO via H2SO4 aerosols is proposed.
- In this work all complexes show N-H blue shifting hydrogen bond due to NH···O interactions.
- The stabilities of the clusters are predicted to be attributable mainly to electrostatic and polarization effects.