With using the method B3LYP/6-31G(d) absolute entropy of hydrocarbons C 1-C 6, hydrocarbon radicals generated in the separation of hydrocarbons methyl radical, as well as entropy of reactions due homolytic cleavage C-CH 3 are calculated. Analyzed are available in a number of the compounds studied regularities.
квантово-химический расчет, углеводороды, энтропия реакции, quantum-chemical calculation, hydrocarbons, the entropy of reaction
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