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A theoretical study on N '-[(Z)-(4-methylphenyl) methylidene]-4-nitrobenzohydrazide (NMPMN)
(Springer, 2018)Quantum mechanical calculations of ground state energy, vibration wavenumbers, and electronic absorption wavelengths of N '-[(Z)-(4-methylphenyl)methylidene]-4-nitrobenzohydrazide with C15H13N3O3 empirical formula was ... -
Density functional theory calculations on (2e)-3-(3-bromo-4-methoxypheny1)-1-(pyridin-2-Y1) prop-2-en-1-one
(Amer Inst Physics, 2017)In this paper, quantum chemical calculations of (2e)-3-(3-Bromo-4-methoxyphenyl)-1-(pyridin-2-yl)-prop-2-en1-one were performed by using B3LYP and CAMB3LYP levels of density functional theory (DFT) with 6-31 1++G(d, p) ...
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