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

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

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...

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Bibliographic Details
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
Series:Вопросы атомной науки и техники
Subjects:
Физика радиационных повреждений и явлений в твердых телах
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/147692
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http://dspace.nbuv.gov.ua/handle/123456789/147692

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