| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1405655 | Journal of Molecular Structure | 2012 | 9 Pages |
Abstract
⺠FT-IR, FT-Raman spectral investigation of 2,4,6-trihydroxybenzaldehyde performed using B3LYP/6-31+G(d,p) basis set. ⺠The HOMO and LUMO energy gap show that charge transfer occurs within the molecule. ⺠The calculated ESP contour map is confirm an electrophilic and nucleophilic region.
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Authors
V. Balachandran, V. Karpagam, A. Lakshmi,