In silico NIR spectroscopy - A review. Molecular fingerprint, interpretation of calibration models, understanding of matrix effects and instrumental difference

Krzysztof Beć, Justyna Grabska, Christian Huck (2022) In silico NIR spectroscopy - A review. Molecular fingerprint, interpretation of calibration models, understanding of matrix effects and instrumental difference Spectrochim Acta A Mol Biomol Spectrosc (IF: 5) 279 121438