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Atomic structures, conformers and thermodynamic properties of 32k atmospheric molecules

Low-volatile organic compounds (LVOCs) drive key atmospheric processes, such as new particle formation (NPF) and growth. Machine learning tools can accelerate studies of these phenomena, but extensive and versatile LVOC datasets relevant for the atmospheric research community are lacking. We present...

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Detalles Bibliográficos
Autores principales: Besel, Vitus, Todorović, Milica, Kurtén, Theo, Rinke, Patrick, Vehkamäki, Hanna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10338534/
https://www.ncbi.nlm.nih.gov/pubmed/37438370
http://dx.doi.org/10.1038/s41597-023-02366-x