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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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| Publicado no: | Spectrochim Acta A Mol Biomol Spectrosc |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2021
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| Assuntos: | |
| Acesso em linha: | 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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