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Predicting Frequency from the External Chemical Environment: OH Vibrations on Hydrated and Hydroxylated Surfaces

[Image: see text] Robust correlation curves are essential to decipher structural information from IR-vibrational spectra. However, for surface-adsorbed water and hydroxides, few such correlations have been presented in the literature. In this paper, OH vibrational frequencies are correlated against...

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Detalles Bibliográficos
Autores principales: Röckert, Andreas, Kullgren, Jolla, Hermansson, Kersti
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9753585/
https://www.ncbi.nlm.nih.gov/pubmed/36458913
http://dx.doi.org/10.1021/acs.jctc.2c00135