Molecular modeling of the isoquinoline and hinaldyne reaction of oxidation by peroxyacids
| dc.citation.conference | Litteris et Artibus | |
| dc.contributor.affiliation | Ivan Franko National University of Lviv | uk_UA |
| dc.contributor.author | Zvir, Ivanna | |
| dc.contributor.author | Dutka, Volodymur | |
| dc.contributor.author | Matsyuk, Natalia | |
| dc.contributor.author | Matsyuk, Mariya | |
| dc.contributor.author | Zastavska, Gаlyna | |
| dc.contributor.author | Kovalskyi, Yaroslav | |
| dc.coverage.country | UA | uk_UA |
| dc.coverage.placename | Lviv | uk_UA |
| dc.date.accessioned | 2018-03-23T13:05:12Z | |
| dc.date.available | 2018-03-23T13:05:12Z | |
| dc.date.issued | 2015 | |
| dc.description.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. | uk_UA |
| dc.format.pages | 392-393 | |
| dc.identifier.citation | 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. | uk_UA |
| dc.identifier.uri | https://ena.lpnu.ua/handle/ntb/39925 | |
| dc.language.iso | en | uk_UA |
| dc.publisher | Lviv Polytechnic Publishing House | uk_UA |
| dc.relation.referencesen | [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. | uk_UA |
| dc.subject | heat of formation | uk_UA |
| dc.subject | oxidation | uk_UA |
| dc.subject | isoquinoline | uk_UA |
| dc.subject | hinaldyne | uk_UA |
| dc.subject | N-oxides | uk_UA |
| dc.subject | peroxydecanoid acid | uk_UA |
| dc.subject | structure of molecules | uk_UA |
| dc.title | Molecular modeling of the isoquinoline and hinaldyne reaction of oxidation by peroxyacids | uk_UA |
| dc.type | Conference Abstract | uk_UA |