Anharmonicity and Spectra–Structure Correlations in MIR and NIR Spectra of Crystalline Menadione (Vitamin K(3))

Mid-infrared (MIR) and near-infrared (NIR) spectra of crystalline menadione (vitamin K(3)) were measured and analyzed with aid of quantum chemical calculations. The calculations were carried out using the harmonic approach for the periodic model of crystal lattice and the anharmonic DVPT2 calculatio...

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Detalles Bibliográficos
Autores principales: Beć, Krzysztof B., Grabska, Justyna, Huck, Christian W., Mazurek, Sylwester, Czarnecki, Mirosław A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8620535/
https://www.ncbi.nlm.nih.gov/pubmed/34833871
http://dx.doi.org/10.3390/molecules26226779

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8620535/
https://www.ncbi.nlm.nih.gov/pubmed/34833871
http://dx.doi.org/10.3390/molecules26226779

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