Effect of conformational isomerism on NIR spectra of ethanol isotopologues. Spectroscopic and anharmonic DFT study

Published 2020 View Full Article

Authors

Keywords

Near-infrared (NIR) spectroscopy, Anharmonic quantum chemical calculations, GVPT2, Isotopic substitution, Conformers, Overtones and combinations bands, Ethanol

Journal

JOURNAL OF MOLECULAR LIQUIDS

Volume 310, Issue -, Pages 113271

Publisher

Elsevier BV

Online

2020-05-04

DOI

10.1016/j.molliq.2020.113271

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