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