| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1234304 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2014 | 10 Pages |
Abstract
- FT-IR, FT-Raman and UV-visible spectra of Isoleucine in the solid phase were recorded and analyzed.
- The optimized geometry and vibrational wavenumbers were computed using MP2 and DFT (B3LYP) methods.
- Vibrational assignment made by PED calculation by VEDA program.
- Natural atomic analysis explained the intramolecular hydrogen bonding.
- Chemical shift of the title compound were found.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
P.P. Moorthi, S. Gunasekaran, G.R. Ramkumaar,