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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-07-01
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| Series: | Foods |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2304-8158/12/15/2888 |