The effect of long-range interactions on the infrared and Raman spectra of aragonite (CaCO(3), Pmcn) up to 25 GPa

Long-range interactions are relevant in the physical description of materials, even for those where other stronger bonds give the leading contributions. In this work, we demonstrate this assertion by simulating the infrared and Raman spectra of aragonite, an important calcium carbonate polymorph (sp...

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Detalles Bibliográficos
Autores principales: Ulian, Gianfranco, Valdrè, Giovanni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9932076/
https://www.ncbi.nlm.nih.gov/pubmed/36792773
http://dx.doi.org/10.1038/s41598-023-29783-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9932076/
https://www.ncbi.nlm.nih.gov/pubmed/36792773
http://dx.doi.org/10.1038/s41598-023-29783-7

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