Spectroscopic features of caffeic acid: Theoretical study
In order to investigate spectroscopic features of caffeic acid (CA), the IR, Raman, 13C-NMR, 1H-NMR, and UV spectra of this compound were simulated. For this purpose the B3LYP-D3/6-311+G(d,p) theoretical model was used in combination with CPCM solvation model. Very good agreement between all experim...
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| Format: | Article |
| Language: | English |
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University of Kragujevac, Faculty of Science
2017-01-01
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| Series: | Kragujevac Journal of Science |
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| Online Access: | http://scindeks-clanci.ceon.rs/data/pdf/1450-9636/2017/1450-96361739099T.pdf |