| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7673548 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2013 | 5 Pages |
Abstract
- B3LYP as well as FTIR were utilized to analyze HNCQ.
- HMNOQ vibrational assignments were aided at B3LYP/6-311G(d,p).
- HMNOQ has a high dipole moment (9 Debye) and HOMO/LUMO energy gap (4Â eV).
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
M.M. Ismail, G.M. Morsy, H.M. Mohamed, M.A.M. El-Mansy, M.M.A. Abd-Alrazk,