With the use DFT- and composite methods formation enthalpy and absolute entropy of methyl nitrite (cis and trans conformations), radicals formed in the reaction of gas-phase rupture O-NO bond, as well as the enthalpy and entropy of the reaction are calculated.
квантово-химический расчет, метилнитрит, энергия диссоциации, энтропия, quantum-chemical calculation, methyl nitrite, dissociation energy, entropy
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