Articles | Volume 2, issue 2
https://doi.org/10.5194/ar-2-303-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ar-2-303-2024
© Author(s) 2024. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Cluster-to-particle transition in atmospheric nanoclusters
Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark
Yosef Knattrup
Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark
Andreas Buchgraitz Jensen
Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark
Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark
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Cited
15 citations as recorded by crossref.
- Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles Y. Knattrup & J. Elm https://doi.org/10.5194/ar-3-125-2025
- Ammonia Synergistic Effects and Stability Evolution in Sulfuric Acid-Dimethylamine Clusters up to 10 Molecules Y. Han et al. https://doi.org/10.1021/acs.estlett.6c00614
- Thermodynamic benchmarking of hydrated atmospheric clusters in early particle formation I. Neefjes et al. https://doi.org/10.5194/ar-4-1-2026
- Can Accretion Products Be Formed at the Interface of Freshly Nucleated Particles? G. Hasan et al. https://doi.org/10.1021/acsomega.5c13316
- Microhydration and climatic impact of succinic acid and succinic acid–ammonia clusters: A DFT study A. Neba et al. https://doi.org/10.1016/j.ctta.2026.100350
- Absorption and Scattering Properties of Atmospheric Molecular Clusters G. Trolle et al. https://doi.org/10.1021/acs.jpca.5c03658
- The key role of nanoparticle concentration gradient in aerosol initial growth R. Cai et al. https://doi.org/10.1038/s41467-026-70082-2
- Understanding the microhydration of small organic molecules A. Malloum https://doi.org/10.1016/j.molliq.2026.129578
- Growth of atmospheric freshly nucleated particles: a semi-empirical molecular dynamics study Y. Knattrup et al. https://doi.org/10.5194/ar-3-237-2025
- New Particle Formation and Growth in Urban Atmospheres: From Observations to Molecular-Level Understanding R. Cai et al. https://doi.org/10.1021/acs.chemrev.5c00684
- Base synergy in freshly nucleated particles G. Hasan et al. https://doi.org/10.5194/ar-3-101-2025
- Coupled Cluster Free Energies for Atmospheric Molecular Clusters: Benchmark and Matching Experimental Free Energies Y. Knattrup et al. https://doi.org/10.1021/acsomega.6c00573
- Extrapolating Local Coupled Cluster Calculations toward CCSD(T)/CBS Binding Energies of Atmospheric Molecular Clusters Y. Knattrup & J. Elm https://doi.org/10.1021/acsomega.5c04476
- Rapid new particle formation driven by methanesulfonic acid and amines H. Klebach et al. https://doi.org/10.1039/D5EA00081E
- Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling J. Kubečka et al. https://doi.org/10.1021/acsomega.5c05634
15 citations as recorded by crossref.
- Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles Y. Knattrup & J. Elm https://doi.org/10.5194/ar-3-125-2025
- Ammonia Synergistic Effects and Stability Evolution in Sulfuric Acid-Dimethylamine Clusters up to 10 Molecules Y. Han et al. https://doi.org/10.1021/acs.estlett.6c00614
- Thermodynamic benchmarking of hydrated atmospheric clusters in early particle formation I. Neefjes et al. https://doi.org/10.5194/ar-4-1-2026
- Can Accretion Products Be Formed at the Interface of Freshly Nucleated Particles? G. Hasan et al. https://doi.org/10.1021/acsomega.5c13316
- Microhydration and climatic impact of succinic acid and succinic acid–ammonia clusters: A DFT study A. Neba et al. https://doi.org/10.1016/j.ctta.2026.100350
- Absorption and Scattering Properties of Atmospheric Molecular Clusters G. Trolle et al. https://doi.org/10.1021/acs.jpca.5c03658
- The key role of nanoparticle concentration gradient in aerosol initial growth R. Cai et al. https://doi.org/10.1038/s41467-026-70082-2
- Understanding the microhydration of small organic molecules A. Malloum https://doi.org/10.1016/j.molliq.2026.129578
- Growth of atmospheric freshly nucleated particles: a semi-empirical molecular dynamics study Y. Knattrup et al. https://doi.org/10.5194/ar-3-237-2025
- New Particle Formation and Growth in Urban Atmospheres: From Observations to Molecular-Level Understanding R. Cai et al. https://doi.org/10.1021/acs.chemrev.5c00684
- Base synergy in freshly nucleated particles G. Hasan et al. https://doi.org/10.5194/ar-3-101-2025
- Coupled Cluster Free Energies for Atmospheric Molecular Clusters: Benchmark and Matching Experimental Free Energies Y. Knattrup et al. https://doi.org/10.1021/acsomega.6c00573
- Extrapolating Local Coupled Cluster Calculations toward CCSD(T)/CBS Binding Energies of Atmospheric Molecular Clusters Y. Knattrup & J. Elm https://doi.org/10.1021/acsomega.5c04476
- Rapid new particle formation driven by methanesulfonic acid and amines H. Klebach et al. https://doi.org/10.1039/D5EA00081E
- Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling J. Kubečka et al. https://doi.org/10.1021/acsomega.5c05634
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Short summary
The exact point at which a given assembly of molecules represents an atmospheric molecular cluster or a particle remains ambiguous. Using quantum chemical methods, here we explore a cluster-to-particle transition point. Based on our results, we deduce a property-based criterion for defining freshly nucleated particles (FNPs) that act as a boundary between discrete cluster configurations and bulk particles.
The exact point at which a given assembly of molecules represents an atmospheric molecular...
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