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 …

Atmospheric clusters to nanoparticles: Recent progress and challenges in closing the gap in chemical composition

JN Smith, DC Draper, S Chee, M Dam, H Glicker… - Journal of Aerosol …, 2021 - Elsevier
Aerosol nanoclusters (AN), defined here as molecular aggregates suspended in a gas with
dimensions between 2 and 10 nm, are the link between substances that we think of as …

Ion-induced nucleation of pure biogenic particles

J Kirkby, J Duplissy, K Sengupta, C Frege, H Gordon… - Nature, 2016 - nature.com
Atmospheric aerosols and their effect on clouds are thought to be important for
anthropogenic radiative forcing of the climate, yet remain poorly understood. Globally …

Comment on “Benchmarking basis sets for density functional theory thermochemistry calculations: Why unpolarized basis sets and the polarized 6-311G family should …

M Gray, PE Bowling, JM Herbert - The Journal of Physical …, 2024 - ACS Publications
Recently, McKemmish and co-workers 1 reported bench-mark calculations on the
performance of density functional theory (DFT) for thermochemistry and barrier heights …

Clusteromics III: acid synergy in sulfuric acid–methanesulfonic acid–base cluster formation

J Elm - ACS omega, 2022 - ACS Publications
Acid–base molecular clusters are an important stage in atmospheric new particle formation.
While such clusters are most likely multicomponent in nature, there are very few reports on …

Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation

Y Knattrup, J Kubečka, J Elm - The Journal of Physical Chemistry …, 2023 - ACS Publications
Multicomponent atmospheric molecular clusters, typically comprising a combination of acids
and bases, play a pivotal role in our climate system and contribute to the perplexing …

Toward Modeling the Growth of Large Atmospheric Sulfuric Acid–Ammonia Clusters

M Engsvang, J Kubečka, J Elm - ACS omega, 2023 - ACS Publications
Studying large atmospheric molecular clusters is needed to understand the transition
between clusters and aerosol particles. In this work, we studied the (SA) n (AM) n clusters …

An atmospheric cluster database consisting of sulfuric acid, bases, organics, and water

J Elm - Acs Omega, 2019 - ACS Publications
We have collected, recomputed, and compiled a database consisting of 633 unique
atmospherically relevant molecular clusters containing sulfuric acid, bases, oxidized organic …

Configurational sampling of noncovalent (atmospheric) molecular clusters: sulfuric acid and guanidine

J Kubecka, V Besel, T Kurtén, N Myllys… - The Journal of …, 2019 - ACS Publications
We studied the configurational sampling of noncovalently bonded molecular clusters
relevant to the atmosphere. In this article, we discuss possible approaches to searching for …

Hydrogen-bond topology is more important than acid/base strength in atmospheric prenucleation clusters

SE Harold, CJ Bready, LA Juechter… - The Journal of …, 2022 - ACS Publications
We explored the hypothesis that on the nanoscale level, acids and bases might exhibit
different behavior than in bulk solution. Our study system consisted of sulfuric acid, formic …