Molecular Modeling and Spectroscopic Studies of Benzothiazole
The Fourier Transform (FT) infrared and FT-Raman spectra of benzothiazole (BT) have been recorded and analyzed. The equilibrium geometry, bonding features, and harmonic vibrational frequencies have been investigated by ab initio and density functional theory (DFT) methods. The assignments of the vib...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2013-01-01
|
| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/258519 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|