V.B. Jadhav
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View article: Theoretical calculations of infrared, NMR and electronic spectra of 2-nitroso-1, naphthol or 1-2 naphthoquinine-2 oxime and comparison with experimental data
Theoretical calculations of infrared, NMR and electronic spectra of 2-nitroso-1, naphthol or 1-2 naphthoquinine-2 oxime and comparison with experimental data Open
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 an…
View article: Synthesis, spectral and Theoretical investigation on 1-2 naphthoquinone dioxime
Synthesis, spectral and Theoretical investigation on 1-2 naphthoquinone dioxime Open
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 ultravio…