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TY - JOUR AU - R.G. Sarawadekar, V.B. Jadhav, N.R. Gonewar, K.D. Jadhav PY - 2015/10/28 Y2 - 2025/09/23 TI - Synthesis, spectral and Theoretical investigation on 1-2 naphthoquinone dioxime JF - Research in Pharmacy JA - RIP VL - 1 IS - 3 SE - Articles DO - UR - https://www.updatepublishing.com/journal/index.php/rip/article/view/212 SP - AB - The structure of 1-2 naphthoquinone dioxime is examined by use of the HF (6 -31 G* level), density functional theory DFT (6 -31 G* level) & hybrid functional B3LYP. Using the optimized structure of the titled compound IR, NMR, and ultraviolet data is calculated and compared with experimental data. It shows good relation between theoretically calculated IR wave numbers & observed values for Mid – Far IR data. The chemical shifts are in good comparison for 1H & 13C spectra and electronics spectra also. The results are discussed in this paper. ER -