Vibrational (FT-IR, FT-Raman) and UV–Visible spectroscopic studies, HOMO–LUMO, NBO, NLO and MEP analysis of Benzyl (imino (1H-pyrazol-1-yl) methyl) carbamate using DFT calculaions

Journal of Molecular Structure - Tập 1108 - Trang 567-582 - 2016
Y.B. Shankar Rao1, M.V.S. Prasad2, N. Udaya Sri2, V. Veeraiah1
1Molecular Spectroscopy Laboratories, Department of Physics, Andhra University, Visakhapatnam, India
2Molecular Spectroscopy Laboratory, Department of Physics, D.N R. College, Bhimavaram 534202, W.G. Dt, Andhra Pradesh, India

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