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Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region

[Image: see text] We interface the quasi-classical trajectory approach with an ab initio potential energy surface for water to assign the vibrational spectroscopical features of the OH stretch region of the water octamer cluster, which is considered to be a precursor of ice. An attempt by Li et al....

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Detalles Bibliográficos
Autores principales: Barbiero, Davide, Bertaina, Gianluca, Ceotto, Michele, Conte, Riccardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10405218/
https://www.ncbi.nlm.nih.gov/pubmed/37477983
http://dx.doi.org/10.1021/acs.jpca.3c02902

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