Квантово-хімічний розрахунок структури тетраетоксисилану та кінетичних параметрів реакції його гідролізу
The paper is devoted to quantum-chemical calculation of tetraethoxysilane (TEOS) structure by different methods: РМ6, Hartree-Fock and DFT. PM6 method was found to be optimal. Kinetic parameters (activation energy and preexponential factor) of hydrolysis of TEOS molecule were evaluated using quantum-chemical calculation. Key words: quantum-chemical calculation, PM6, sol-gel process, tetraethoxysilane, rate constant of hydrolysis.