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The influence of molecular vicinity (expressed in terms of dielectric constant) on the infrared spectra of embedded species in ices and solid matrices
In this theoretical work we evaluate how the chemical environment influences some features presented in the infrared spectrum, such as band intensities and band location of embedded species in icy matrices. The calculations were performed employing the Polarized Continuum Model (PCM) approach with t...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049193/ https://www.ncbi.nlm.nih.gov/pubmed/35498323 http://dx.doi.org/10.1039/c9ra10136e |