Theoretical and experimental studies on the vibrational spectra of 3-quinolinecarboxaldehyde
✍ Scribed by M. Kumru; V. Küçük; T. Bardakçı
- Book ID
- 113880874
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 846 KB
- Volume
- 90
- Category
- Article
- ISSN
- 1386-1425
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
Spectroscopic and theoretical studies of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane are presented. Molecular dynamics calculations were performed to scan the conformational space of the molecule. Density functional calculations were carried out on the stable conformers to obtain a better description of m
The vibrational wavenumbers of kyotorphin [L-Tyr 1 -D-Arg 2 ] analogue (D-KTP) was determined by using theoretical and experimental methods. The optimised structure of kyotorphin was obtained on the basis of parameter set determined for L-tyrosine and D-arginine molecules. After then the vibrational