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- W4205563669 abstract "Using the quantum chemical density functional theory method in the Gaussian03W package, the spatial configuration of this compound is optimized by using B3LYP/6-31G(d) as the base group, in which the data of bond length, bond angle and spatial dihedral angle of the compound molecule are obtained. Based on the optimized stable structure, the infrared vibration frequency of the molecule is calculated, and the infrared spectrum is drawn. There is no imaginary frequency in the calculation results of frequency value, which indicates that the optimized configuration of 9-methacryloyl carbazole molecule is reasonable, and the peak position of infrared spectrum is assigned." @default.
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- W4205563669 date "2022-01-04" @default.
- W4205563669 modified "2023-09-27" @default.
- W4205563669 title "Theoretical Research on Structure and Infrared Spectra of the 9-Methacrylate Carbazole Molecule" @default.
- W4205563669 cites W2036841526 @default.
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- W4205563669 doi "https://doi.org/10.4028/www.scientific.net/kem.905.117" @default.
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