| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1405899 | Journal of Molecular Structure | 2012 | 5 Pages |
Abstract
⺠CO stretching band intensities for a series of p-substituted acetanilides are computed. ⺠Intensities are rationalized in terms of electronic parameters. ⺠qNBO, qHirsh and EPN are examined. ⺠The established correlation ACOâ²/qCNBO can be applied for predicting IR intensities.
Related Topics
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Authors
Diana Cheshmedzhieva, Valia Dimitrova, Boriana Hadjieva, Sonia Ilieva,