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Raman Spectroscopic Study of Five Typical Plasticizers Based on DFT and HF Theoretical Calculation
Phthalic acid esters (PAEs) are the most commonly used plasticizers, and long-term or high levels of exposure to PAEs have a huge potential risk to human health. In this study, the theories of Hartree–Fock (HF) and density functional theory (DFT) with different hybrid methods and basis sets were use...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10418743/ https://www.ncbi.nlm.nih.gov/pubmed/37569157 http://dx.doi.org/10.3390/foods12152888 |