The fraction of cloud condensation nuclei (CCN) formed via new particle formation (NPF) can vary significantly across the globe, but in many cases it can exceed 50% of the total CCN concentration. The onset of NPF is the formation of small clusters from atmospheric vapors, that grow further by the condensation of vapor or coagulation of clusters. However, the exact mechanism describing which vapors participate during the different processes is still poorly understood. It is now well-established that polar regions are warming significantly faster than other parts of the globe, with regions like the Arctic warming 4 times faster, with some local warming reaching 7 times faster warming compared to the global average. This warming is affects and is affected by the changing Arctic climate in a strong feedback loop. Formation of aerosols is a significant contributor to this feedback loop, both directly and indirectly through the scattering of light and acting as CCN. In the Arctic, particles ranging from 50-100 nm, can act as CCN to form low-level clouds, that can contribute to additional warming. Locally formed CCN is primarily relevant for the Arctic summer, where spring and fall is dominated by anthropogenic sources. Proper speciation of NPF is difficult to achieve with experimental techniques. This is due to the relatively weak intermolecular bonds holding the clusters together, which can easily be broken upon ionization. Determining the cluster composition beyond the elemental composition is also challenging and can be a hindrance to interpretation where several distinct chemical isomers can have identical elemental composition. Thus quantum chemical studies can be necessary to aid in the interpretation by calculating the cluster structure and thermodynamics.