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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Detalles Bibliográficos
Autores principales: Beć, Krzysztof B., Grabska, Justyna, Huck, Christian W., Czarnecki, Mirosław A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600318/
https://www.ncbi.nlm.nih.gov/pubmed/31212669
http://dx.doi.org/10.3390/molecules24112189

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600318/
https://www.ncbi.nlm.nih.gov/pubmed/31212669
http://dx.doi.org/10.3390/molecules24112189

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