With using the methods B3LYP/6-31G(d) and G3 enthalpy of formation, absolute entropy of halogen nitroethylene, radicals formed in the homolytic cleavage of bond C-NO 2, as well as the reactions of radical gas-phase decomposition..
квантово-химический расчет, нитроэтилен, энтальпия реакции, энтропия реакции, quantum-chemical calculation, nitroethylene, the enthalpy of reaction, the entropy of reaction
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