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    Electronic Structure, Spectroscopic (IR, Raman, UV-Vis, NMR), Optoelectronic, and NLO Properties Investigations of Rubescin E (C31H36O7) Molecule in Gas Phase and Chloroform Solution Using Ab Initio and DFT Methods by Richard Arnaud Yossa Kamsi, Geh Wilson Ejuh, Fidèle Tchoffo, Pierre Mkounga, Jean-Marie Bienvenu Ndjaka

    Published 2019-01-01
    “…Quantum chemical methods were used to study the electronic structure and some physicochemical properties of Rubescin E molecule. Good agreement with experiment was found for J3H-H coupling constant, IR, 1H NMR, and 13C NMR. …”
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