Browsing by Author "Zvir, Ivanna"

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    Molecular modeling of the isoquinoline and hinaldyne reaction of oxidation by peroxyacids
    (Lviv Polytechnic Publishing House, 2015) Zvir, Ivanna; Dutka, Volodymur; Matsyuk, Natalia; Matsyuk, Mariya; Zastavska, Gаlyna; Kovalskyi, Yaroslav; Ivan Franko National University of Lviv
    Optimal-geometric structures of molecules was calculated with semi-empirical quantum-chemical methods. The heat of formation (ΔHf), the heat of reaction (ΔHex) was found. Numerical values of ΔHf was calculated theoretically is satisfactorily coincide with the data obtained experimentally.