| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5159999 | Journal of Molecular Structure | 2017 | 17 Pages |
Abstract
A comparative study of UV/Visible spectra of carboline and carbazole derivatives was conducted by employing the Density Functional Theory (DFT) approach. CAM-B3LYP/6-31G and WB97XD/DGDZVP combination were found to have close agreement with the experimental values of β-carboline derivatives and carbazole derivatives respectively.253
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Authors
Zeenat Zara, Javed Iqbal, Khurshid Ayub, Muhammad Irfan, Athar Mahmood, Rasheed Ahmad Khera, Bertil Eliasson,