Electronic structure of С₆₀ derivatives at π-conjugation breaking in models С₆₀Н₂, С₆₀-С₂Н₄, С₆₀-С₅Н₇N, С₆₀-С-(СН₃)₂, and C₅₉

• Published in: Вопросы атомной науки и техники
• Date: 2018
• Main Authors: Pavlenko, O.L., Kulish, M.P., Dmytrenko, O.P., Zarytska, A.M., Sendiuk, V.A., Kachkovsky, O.D.
• Format: Article
• Language: English
• Published: Національний науковий центр «Харківський фізико-технічний інститут» НАН України 2018
• Subjects: Физика радиационных повреждений и явлений в твердых телах
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/147692
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Electronic structure of С₆₀ derivatives at π-conjugation breaking in models С₆₀Н₂, С₆₀-С₂Н₄, С₆₀-С₅Н₇N, С₆₀-С-(СН₃)₂, and C₅₉ / O.L. Pavlenko, M.P. Kulish, O.P. Dmytrenko, A.M. Zarytska, V.A. Sendiuk, O.D. Kachkovsky // Вопросы атомной науки и техники. — 2018. — № 5. — С. 29-33. — Бібліогр.: 13 назв. — англ.

The quantum-chemical calculations were applied for study of changes in the electron structure occurring in fullerene derivatives С₆₀Н₂, С₆₀-С₂Н₄, С₆₀-С₅Н₇N, С₆₀-С-(СН₃)₂, and C₅₉ molecules, which are convenient model objects with a covalent attachment of various types of ligands and also in full...