Browsing by Author "Grytselyak, Tymofiy"

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    Quantum chemistry research structure and electronic properties of peroxides
    (Видавництво Львівської політехніки, 2013) Grytselyak, Tymofiy; Shchodryi, Volodymyr; Dutka, Volodymyr; Kovalskyi, Yaroslav
    We have calculated the optimal structure, electronic properties and heat of formation (ΔfH ) peroxide compounds with the help of semiempirical quantum chemical methods. Theoretically calculated values well coincide with the values found from thermochemical experiments.