| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1231230 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2013 | 10 Pages |
Abstract
⺠Infrared and Raman spectra were recorded and compared with the theoretical results. ⺠The complete assignments are performed on the basis of the potential energy distribution. ⺠The theoretical calculations were made using B3LYP/6-311G(d,p) method. ⺠Stability of the molecule has been analyzed using natural bond orbital analysis. ⺠The HOMO and LUMO energies show that charge transfer occurs within the molecule.
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Physical Sciences and Engineering
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Authors
Soni Mishra, Poonam Tandon, Pinkie J. Eravuchira, Rasha M. El-Abassy, Arnulf Materny,