The comparative studies of the infrared and Raman spectra of fluoranthene and 3-nitrofluoranthene (3-NF) were made via both FT-IR and density functional theory calculation with a triple f Gaussian basis set (B3LYP/6-311 + G(d,p)). The scaled theoretical vibrational frequencies show good agreement to
✦ LIBER ✦
Combined study of vibrational spectra of α-carboline by theoretical and experimental IR methods
✍ Scribed by María A. Muñoz; Antonio Sánchez-Coronilla; Carmen Carmona; Emilio García-Fernández; Manuel Balón
- Book ID
- 108298580
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 550 KB
- Volume
- 55
- Category
- Article
- ISSN
- 0924-2031
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