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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| 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 |