Using the methods of quantum chemistry were obtained geometrical parameters, atomic charges оf neutral molecule, ionized nitrobenzene and dipole moment, ionization potential and electron affinity of nitrobenzene.
квантово-химический расчет, катион радикал, анион радикал, нитробензол, геометрические параметры, заряды на атомах, дипольный момент, потенциал ионизации, энергия сродства к электрону, quantum-chemical calculations, nitrobenzene radical cation, nitrobenzene radical anion, geometrical parameters, atomic charges, dipole moment, ionization potential, electron affinity
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