%0 Journal Article %T %A , .. %A , .. %A , .. %A , .. %A , .. %K квантово-химические методы, B3LYP, WB97XD, энтальпия, энтропия, quantum-chemical methods, B3LYP, WB97XD, enthalpy, entropy %J Herald of Technological University %D 2025 %N 17 %P 2 %I Kazan National Research Technological University