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Information × Registration Number 0216U005917, 0113U001895 , R & D reports Title Simulation of equilibrium and non-equilibrium processes that occur during chemical modification of nanoparticle systems of different nature, exposed to electromagnetic radiation, and the development of new methods of production and study of the properties of nanoscale objects formed on the surface of crystalline solids popup.stage_title Head Lobanov Viсtor Victorovich, Registration Date 04-03-2016 Organization Institute of Surface Chemistry of the National Academy of Sciences of Ukraine popup.description2 The results of calculations (DFT, B3LYP, 6-31G **) parameters interact with benzoyl peroxide radicals hrafitopodibnoyu plane model nanoclusters demonstrated that a molecule benzoyl peroxide is the weakest link Oh, because of the gap which may be formed benzoyiloksydu two radicals, which turn decompose to form phenyl radical molecules and carbon dioxide, which is confirmed by experimental data analysis benzoyl peroxide decomposition products in carbon materials. Calculations of thermodynamic and kinetic characteristics radical benzoyiloksydu interaction with carbon clusters show that the interaction of the easiest hrafitopodibnoyu plane, within which there are atoms of nitrogen, compared with a net carbon nanoclusters, and worst of oxygen-carbon nanoclusters. Product Description popup.authors В.В. Лобанов Гічан О.І. Гаврилюк О.О. Гребенюк А.Г. Дацюк А.М. Демяненко Є.М. Каурковська В.М. Козирєв Ю.М. Корочкова Т.Є. Кравченко А.А. Лерман Л.Б. Розенбаум В.М. Семчук О.Ю. Теребінська М.І. Ткачук О.І. Філоненко О.В. Цендра О.М. Шкільов В.П. popup.nrat_date 2020-04-02 Close