Anharmonicity and Spectra–Structure Correlations in MIR and NIR Spectra of Crystalline Menadione (Vitamin K<sub>3</sub>)
Mid-infrared (MIR) and near-infrared (NIR) spectra of crystalline menadione (vitamin K<sub>3</sub>) 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 anharm...
Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-11-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/26/22/6779 |