期刊
JOURNAL OF SPECTROSCOPY
卷 2016, 期 -, 页码 -出版社
HINDAWI LTD
DOI: 10.1155/2016/2073613
关键词
-
资金
- National Natural Science Foundation of China [61275160]
FTIR (400-4000 cm(-1)) spectra of Bisphenol A are presented. Absorption peaks (400-4000 cm-1) are assigned on the basis of Density Functional Theory (DFT) with configuration as B3LYP 6-311G++ (3df 3pd). Calculated absorption peaks are in reasonable reconciliation with experimental absorption peaks after scaling with scale factor of 0.9679 except C-H and O-H stretching vibrations.
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