Cargando…
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...
| Autores principales: | , , |
|---|---|
| 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 |