The recent development of density functional theory (DFT) makes it possible to calculate accurately metalloporphyrin structures and potential surfaces. This is illustrated for nickel porphine, the vibrations of which are reliably assigned from extensive spectroscopic studies. With a minimal set of s
β¦ LIBER β¦
The surface-enhanced Raman spectra of aflatoxins: spectral analysis, density functional theory calculation, detection and differentiation
β Scribed by Wu, Xiaomeng; Gao, Simin; Wang, Jia-Sheng; Wang, Hongyan; Huang, Yao-Wen; Zhao, Yiping
- Book ID
- 120308190
- Publisher
- Royal Society of Chemistry
- Year
- 2012
- Tongue
- English
- Weight
- 462 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0003-2654
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