Articles | Volume 2, issue 1
https://doi.org/10.5194/ar-2-123-2024
https://doi.org/10.5194/ar-2-123-2024
Research article
 | 
04 Jun 2024
Research article |  | 04 Jun 2024

A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation

Astrid Nørskov Pedersen, Yosef Knattrup, and Jonas Elm

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Cited articles

Almeida, J., Schobesberger, S., Kürten, A. et al.: Molecular Understanding of Sulphuric Acid-Amine Particle Nucleation in the Atmosphere, Nature, 502, 359–363, 2013. a, b
Ayoubi, D., Knattrup, Y., and Elm, J.: Clusteromics V: Organic Enhanced Atmospheric Cluster Formation, ACS Omega, 8, 9621–9629, 2023. a
Baccarini, A., Karlsson, L., Dommen, J., Duplessis, P., Vüllers, J., Brooks, I. M., Saiz-Lopez, A., Salter, M., Tjernström, M., Baltensperger, U., Zieger, P., and Schmale, J.: Frequent New Particle Formation Over the High Arctic Pack Ice by Enhanced Iodine Emissions, Nat. Commun., 11, 4924, https://doi.org/10.1038/s41467-020-18551-0, 2020. a
Bannwarth, C., Caldeweyher, E., Ehlert, S., Hansen, A., Pracht, P., Seibert, J., Spicher, S., and Grimme, S.: Extended Tight-binding Quantum Chemistry Methods, WIREs Comput. Mol. Sci., 11, e1493, https://doi.org/10.1002/wcms.1493, 2021. a
Beck, L. J., Sarnela, N., Junninen, H., Hoppe, C. J. M., Garmash, O., Bianchi, F., Riva, M., Rose, C., Peräkylä, O., Wimmer, D., et al.: Differing Mechanisms of New Particle Formation at Two Arctic Sites, Geophys. Res. Lett., 48, e2020GL091334, https://doi.org/10.1029/2020GL091334, 2021. a
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Short summary
Aerosol formation is an important process for our global climate. While inorganic species have been shown to be important for aerosol formation, there remains a large gap in our knowledge about the exact involvement of organics. We present a new quantum chemical procedure for screening relevant organics that for the first time allows us to obtain direct molecular-level insight into the organics involved in aerosol formation.
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