Li-min LU, Bin SHI, Tian-yu TANG, Xian-hao ZHAO, Xiao-nan WEI, Yan-lin TANG. Spectral Analysis of Epinephrine Molecule Based on Density Functional Theory[J]. Spectroscopy and Spectral Analysis, 2022, 42(1): 248
- Spectroscopy and Spectral Analysis
- Vol. 42, Issue 1, 248 (2022)
Fig. 1. Structure of epinephrine after optimization
Fig. 2. UV spectrum of epinephrine molecule
Fig. 3. Infrared spectra of epinephrine molecule
(a): The theory of figure; (b): The experimental figure
(a): The theory of figure; (b): The experimental figure
Fig. 4. RDG function isosurface map of dimer and trimer
(a): Dimer conformation; (b): Trimer conformation
(a): Dimer conformation; (b): Trimer conformation
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Table 1. Properties of excited states of epinephrine molecule
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Table 2. Major vibration attribution corresponding to infrared peaks of epinephrine molecule
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