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Computational investigation of molecular structures, spectroscopic properties and antitumor-antibacterial activities of some Schiff bases
(Elsevier, Ocak 2021)
Molecular structures, spectroscopic properties (IR, 1H NMR and 13C NMR, UV-VIS), molecular electrostatic potential maps and some molecular properties (ionization energy, electron affinity, energy gap, hardness, electronegativity, ...