Skip navigation

putin IS MURDERER

Please use this identifier to cite or link to this item: https://oldena.lpnu.ua/handle/ntb/39925
Title: Molecular modeling of the isoquinoline and hinaldyne reaction of oxidation by peroxyacids
Authors: Zvir, Ivanna
Dutka, Volodymur
Matsyuk, Natalia
Matsyuk, Mariya
Zastavska, Gаlyna
Kovalskyi, Yaroslav
Affiliation: Ivan Franko National University of Lviv
Bibliographic description (Ukraine): Molecular 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.
Conference/Event: Litteris et Artibus
Issue Date: 2015
Publisher: Lviv Polytechnic Publishing House
Country (code): UA
Place of the edition/event: Lviv
Keywords: heat of formation
oxidation
isoquinoline
hinaldyne
N-oxides
peroxydecanoid acid
structure of molecules
Number of pages: 392-393
Abstract: 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.
URI: https://ena.lpnu.ua/handle/ntb/39925
References (International): [1] O. M. Turovska, M. A. Turovskyi, Praktykum z kvantovoi khimii: navchalno-metodychnyi posibnyk [Workshop on Quantum Chemistry: Textbook]. Donetsk: DonNU, 2007. [2] M. E. Solovev, M. M. Solovev, Kompiuternaia khymyia [Computer chemistry]. M. : Solon. Press, 2005. [3] T. K. Klark, Kompiuternaia khymyia [Computer chemistry]. M. : Myr, 1990. [4] Stewart J. J. P. Program Package МОРАС2009 (http://www.openmopac.net). [5] Senda N. Program Package Winmostar (http://winmostar.com). [6] O. A. Osypov, Spravochnyk po dypolnyim momentam [Guide to the dipole moments]. M.: «Vyisshaia shkola», 1965.
Content type: Conference Abstract
Appears in Collections:Litteris et Artibus. – 2015 р.

Files in This Item:
File Description SizeFormat 
146-392-393.pdf93.67 kBAdobe PDFView/Open
Show full item record


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.