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Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters

[Image: see text] The nucleation process leading to the formation of new atmospheric particles plays a crucial role in aerosol research. Quantum chemical (QC) calculations can be used to model the early stages of aerosol formation, where atmospheric vapor molecules interact and form stable molecular...

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Detalles Bibliográficos
Autores principales: Wu, Haide, Engsvang, Morten, Knattrup, Yosef, Kubečka, Jakub, Elm, Jonas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10688134/
https://www.ncbi.nlm.nih.gov/pubmed/38046341
http://dx.doi.org/10.1021/acsomega.3c06794