Breakthrough Potential in Near-Infrared Spectroscopy: Spectra Simulation. A Review of Recent Developments

Near-infrared (12,500–4,000 cm−1; 800–2,500 nm) spectroscopy is the hallmark for one of the most rapidly advancing analytical techniques over the last few decades. Although it is mainly recognized as an analytical tool, near-infrared spectroscopy has also contributed significantly to physical chemis...

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Bibliographic Details

Published in:	Frontiers in Chemistry
Main Authors:	Krzysztof B. Beć, Christian W. Huck
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2019-02-01
Subjects:	near-infrared NIRS spectra simulation theoretical spectroscopy anharmonic methods
Online Access:	https://www.frontiersin.org/article/10.3389/fchem.2019.00048/full