Experimental FT-IR, FT-Raman spectra and theoretical DFT calculations of 3-acetylbenzonitrile
نویسندگان
چکیده
منابع مشابه
FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 2-nitro- and 4-nitrobenzaldehydes
Combined experimental and theoretical studies on molecular and vibrational structure of 2-nitrobenzaldehyde and 4-nitrobenzaldehydes are reported. The Fourier transform infrared and Fourier transform Raman spectra of 2NB and 4NB has been recorded in the solid phase. The optimized geometry has been calculated by HF and B3LYP methods with 6-311++G(d,p) basis set. The harmonic vibrational frequenc...
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ژورنال
عنوان ژورنال: Material Science Research India
سال: 2012
ISSN: 0973-3469,2394-0565
DOI: 10.13005/msri/060227