Modeling the formation and growth of atmospheric molecular clusters: A review

J Elm, J Kubečka, V Besel, MJ Jääskeläinen… - Journal of Aerosol …, 2020 - Elsevier
Molecular clusters are ubiquitous constituents of the ambient atmosphere, that can grow into
larger sizes forming new aerosol particles. The formation and growth of small clusters into …

Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review

J Elm, D Ayoubi, M Engsvang… - Wiley …, 2023 - Wiley Online Library
Aerosol particles are important for our global climate, but the mechanisms and especially the
relative importance of various vapors for new particles formation (NPF) remain uncertain …

The driving effects of common atmospheric molecules for formation of prenucleation clusters: the case of sulfuric acid, formic acid, nitric acid, ammonia, and dimethyl …

CJ Bready, VR Fowler, LA Juechter… - Environmental …, 2022 - pubs.rsc.org
How secondary aerosols form is critical as aerosols' impact on Earth's climate is one of the
main sources of uncertainty for understanding global warming. The beginning stages for …

ternary ion-mediated nucleation (TIMN): kinetic-based model and comparison with CLOUD measurements

F Yu, AB Nadykto, J Herb, G Luo… - Atmospheric …, 2018 - acp.copernicus.org
New particle formation (NPF) is known to be an important source of atmospheric particles
that impacts air quality, hydrological cycle, and climate. Although laboratory measurements …

Hydration of atmospheric molecular clusters II: Organic acid–water clusters

JV Kildgaard, KV Mikkelsen, M Bilde… - The Journal of Physical …, 2018 - ACS Publications
Using computational methods, we study the gas phase hydration of three different
atmospherically relevant organic acids with up to 10 water molecules. We study a …

Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid–multi-base systems

Y Knattrup, J Kubečka, H Wu, F Jensen, J Elm - RSC Advances, 2024 - pubs.rsc.org
Atmospheric molecular clusters, the onset of secondary aerosol formation, are a major part
of the current uncertainty in modern climate models. Quantum chemical (QC) methods are …

Cluster model studies of anion and molecular specificities via electrospray ionization photoelectron spectroscopy

XB Wang - The Journal of Physical Chemistry A, 2017 - ACS Publications
Ion specificity, a widely observed macroscopic phenomenon in condensed phases and at
interfaces, is a fundamental chemical physics issue. Herein we report our recent studies of …

Interaction of gas phase oxalic acid with ammonia and its atmospheric implications

XQ Peng, YR Liu, T Huang, S Jiang… - Physical Chemistry …, 2015 - pubs.rsc.org
Oxalic acid is believed to play an important role in the formation and growth of atmospheric
organic aerosols. However, as a common organic acid, the understanding of the larger …

Interaction of oxalic acid with dimethylamine and its atmospheric implications

J Chen, S Jiang, YR Liu, T Huang, CY Wang, SK Miao… - RSC …, 2017 - pubs.rsc.org
Oxalic acid and dimethylamine are the most common organic acid and base in the
atmosphere, and are recognized as significant precursor species in atmospheric new …

Synergistic effect of ammonia and methylamine on nucleation in the Earth's atmosphere. A theoretical study

CY Wang, S Jiang, YR Liu, H Wen… - The Journal of …, 2018 - ACS Publications
Ammonia and amines are important common trace atmospheric species that can enhance
new particle formation (NPF) in the Earth's atmosphere. However, the synergistic effect of …