With using nonempirical methods and density functional theory methods are calculated geometric parameters and the enthalpy of formation of nitrobenzene, and the enthalpy of formation of radicals produced in its decay, and the dissociation energy of the C-NO 2.
квантово-химический расчет, нитробензол, энтальпия образования, энергия диссоциации, quantum-chemical calculation, nitrobenzene, enthalpy of formation, dissociation energy
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