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Information × Registration Number 0215U004698, 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 01-10-2015 Organization Institute of Surface Chemistry of the National Academy of Sciences of Ukraine popup.description2 Calculation (TFG, B3LYP, 6.31 G) showed scho osnovnіy E-mill vugletsevih nanoklasterіv s odnієї abo EYAD vakansіyamim, nezvazhayuchi to guy Quantity elektronіv in them, not the singlet. For spectrum odnoelektronnih rіvnіv energії characteristic Je those scho deyakі MO rozpodіlenі on zv'yazkah Craiova tsiklіchnogo lantsyuga, zalishayutsya vacant Hoca vіdpovіdnі їm energії viyavlyayutsya nizhchimi energії deyakih zaynyatih MO. Calculation (TFG, B3LYP, 6.31 G) s vikoristannyam rozshirenoї klasternoї modelі Grani the Si (001) (4 ? 2) zasvіdchili scho adsorbtsіya one atom germanіyu vіdbuvaєtsya on trohkratno koordinovanomu down-atomі ??kremnіyu poverhnevogo dimer energetichny efekt vіdpovіdnogo protsesa becoming 7.8 eB and the other? 1.6 eV, about scho svіdchit digit vzaєmodіyu adsorbovanih atomіv germanіyu. Product Description popup.authors В.В. Лобанов Гічан О.І. Гаврилюк О.О. Дацюк А.М. Демяненко Є.М. Каурковська В.М. Козирєв Ю.М. Корочкова Т.Є. Кравченко А.А. Лерман Л.Б. Нребенюк А.Г. Розенбаум В.М. Семчук О.Ю. Сидоренко І.Г. Теребінська М.І. Ткачук О.І. Філоненко О.В. Цендра О.М. Шкільов В.П. popup.nrat_date 2020-04-02 Close
R & D report
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
Head: Lobanov Viсtor Victorovich. 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: ). Institute of Surface Chemistry of the National Academy of Sciences of Ukraine. № 0215U004698
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Updated: 2026-03-22


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