| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1403155 | Journal of Molecular Structure | 2013 | 5 Pages |
Abstract
⺠Spectroscopic properties of DMBA and MMBA were examined by FT-IR, FT-Raman and NMR techniques by DFT method. ⺠Simulated and observed vibrational spectra are agreed well. ⺠1H and 13C NMR chemical shifts have been compared with experimental values. ⺠HOMO and LUMO energies showed the charge transfer. ⺠The first static hyperpolarizability have been calculated and compared.
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Authors
Abdallah Ben Rhaiem, Fathi Jomni, Karim Karoui, Kamel Guidara,