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Space-Resolved OH Vibrational Spectra of the Hydration Shell around CO(2)

[Image: see text] The CO(2) molecule is weakly bound in water. Here we analyze the influence of a dissolved CO(2) molecule on the structure and OH vibrational spectra of the surrounding water. From the analysis of ab initio molecular dynamics simulations (BLYP-D3) we present static (structure, coord...

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Detalles Bibliográficos
Autores principales:	Mitev, Pavlin D., Briels, W. J., Hermansson, Kersti
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8724796/ https://www.ncbi.nlm.nih.gov/pubmed/34927438 http://dx.doi.org/10.1021/acs.jpcb.1c06123

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