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Spectra–Structure Correlations in Isotopomers of Ethanol (CX(3)CX(2)OX; X = H, D): Combined Near-Infrared and Anharmonic Computational Study

The effect of isotopic substitution on near-infrared (NIR) spectra has not been studied in detail. With an exception of few major bands, it is difficult to follow the spectral changes due to complexity of NIR spectra. Recent progress in anharmonic quantum mechanical calculations allows for accurate...

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Библиографические подробности
Опубликовано в: :Molecules
Главные авторы: Beć, Krzysztof B., Grabska, Justyna, Huck, Christian W., Czarnecki, Mirosław A.
Формат: Artigo
Язык:Inglês
Опубликовано: MDPI 2019
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC6600318/
https://ncbi.nlm.nih.gov/pubmed/31212669
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24112189
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