Zvir, IvannaDutka, VolodymurMatsyuk, NataliaMatsyuk, MariyaZastavska, GаlynaKovalskyi, Yaroslav2018-03-232018-03-232015Molecular modeling of the isoquinoline and hinaldyne reaction of oxidation by peroxyacids / Ivanna Zvir,Volodymur Dutka, Natalia Matsyuk, Mariya Matsyuk, Gаlyna Zastavska, Yaroslav Kovalskyi // Litteris et Artibus : proceedings of the 5th International youth science forum, November 26–28, 2015, Lviv, Ukraine / Lviv Polytechnic National University. – Lviv : Lviv Polytechnic Publishing House, 2015. – P. 392–393. – Bibliography: 6 titles.https://ena.lpnu.ua/handle/ntb/39925Optimal-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.enheat of formationoxidationisoquinolinehinaldyneN-oxidesperoxydecanoid acidstructure of moleculesConference Abstract392-393