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Spectra-structure correlations in NIR region of polymers from quantum chemical calculations. The cases of aromatic ring, C=O, C≡N and C-Cl functionalities
Near-infrared (NIR) spectroscopy is a valued analytical tool in various applications involving polymers. However, complex nature of NIR spectra imposes difficulties in their direct interpretation. Here, anharmonic quantum chemical calculations are used to simulate NIR spectra of nine polymers; acryl...
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| Опубликовано в: : | Spectrochim Acta A Mol Biomol Spectrosc |
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| Главные авторы: | , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2021
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7616891/ https://ncbi.nlm.nih.gov/pubmed/34174679 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.saa.2021.120085 |
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