The vibrational wavenumbers of 3-ethylindole were obtained from ab initio studies based on the density functional theory (DFT) approach. The assignments of the theoretical wavenumbers obtained after scaling of the internal force constants were compared with those of skatole and tryptophan. To check
A density functional theory derived force field for p-cresol. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy
โ Scribed by P. Lagant; H. Gallouj; G. Vergoten
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 863 KB
- Volume
- 372
- Category
- Article
- ISSN
- 0022-2860
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