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