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TY - JOUR AU - and R.G. Sarawadekar, N.R. Gonewar, V. B. Jadhav K.D. Jadhav, PY - 2015/10/29 Y2 - 2025/09/23 TI - Theoretical calculations of infrared, NMR and electronic spectra of 2-nitroso-1, naphthol or 1-2 naphthoquinine-2 oxime and comparison with experimental data JF - Research in Pharmacy JA - RIP VL - 2 IS - 1 SE - Articles DO - UR - https://www.updatepublishing.com/journal/index.php/rip/article/view/255 SP - AB - The geometry of the 2-nitroso-1,naphthol in solid state and 1-2 naphthoquinine-2, oxime in solution have studied by employing Hatree Fock ab initio calculations using 6-31 G* level. IR wave number of 2-nitroso -1, naphthol is calculated and compared with experimental date. Further, 1-2, naphthaquinine-2, oxime in solution, NMR chemical shifts of 1H and 13C are calculated by HF method and 6.31 G* level, experimental data was compared. Electronic spectra were also calculated and compared with experimental data. These results are discussed in detail in this work ER -