Toward an Understanding of the Pressure Effect on the Intramolecular Vibrational Frequencies of Sulfur Hexafluoride

[Image: see text] The structural and vibrational properties of the molecular units of sulfur hexafluoride crystal as a function of pressure have been studied by the Extreme Pressure Polarizable Continuum Model (XP-PCM) method. Within the XP-PCM model, single molecule calculations allow a consistent...

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Detalles Bibliográficos
Autores principales: Boccalini, Matteo, Cammi, Roberto, Pagliai, Marco, Cardini, Gianni, Schettino, Vincenzo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389992/
https://www.ncbi.nlm.nih.gov/pubmed/34263605
http://dx.doi.org/10.1021/acs.jpca.1c02595

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8389992/
https://www.ncbi.nlm.nih.gov/pubmed/34263605
http://dx.doi.org/10.1021/acs.jpca.1c02595

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