Výsledky vyhledávání - "Теорія хімічної будови, реакційної здатності та хімічного модифікування поверхні твердих тіл"

Role of Ionized States of Water Molecules in the Reaction of Hydrolysis of Saccharose on Silica Surfaces

Autor: Tsendra, O.M., Grebenyuk, A.G., Lobanov, V.V.

An ion-pair model has been proposed explaining the origin of acidic sites at the silica surface–aqueous solution interface. The results of quantum chemical simulation testify the idea on principal role of ion-pair state of water molecules in the hy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______1456::7701b0faa9f5bd2a05ea928642f6f882
http://dspace.nbuv.gov.ua/handle/123456789/28984

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Binding Energies for CO on Clean and Oxygen-Modified Mo(110) Surface

Autor: Petrova, N.V.

The interaction of CO molecules with clean and oxygen-modified Mo(110) surface has been investigated by means of density functional (DFT) calculations. It has been found that on both clean and oxygencovered Mo(110) surfaces CO molecules are tilted wi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______1456::958106072d69b3e1ea4782d206235dcc
http://dspace.nbuv.gov.ua/handle/123456789/28981

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Electrostatic Field Tensities near Irregularities of Porous Silicon Surface

Autor: Terebinska, M.I., Lobanov, V.V., Grebenyuk, A.G.

Equilibrium spatial structure of the Si89(OH)43H*36 cluster model simulated for a pyramid-like formation on porous silicon surface has been calculated within the frameworks of density functional theory method with 6-31G** basis set. The electron char

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______1456::4747cca5d38b31c16321b32198be5fbd
http://dspace.nbuv.gov.ua/handle/123456789/28983

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A Quantum Chemical Study on Levomycetin Interaction with Silica Surface

Autor: Kravchenko, A.A., Krupska, T.V., Demianenko, E.M., Grebenyuk, A.G., Kuts, V.S., Lobanov, V.V.

The biological activity of D(-)-threo-isomer of levomycetin is connected with presence of hydrogen bonding between hydroxyl groups of its alicyclic form. When grafted on silica surface (via impregnation), levomycetin increases its antimicrobial capab

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______1456::31d4d7595f4b9a3ef7ac0e03b1706201
http://dspace.nbuv.gov.ua/handle/123456789/28985

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Compensation Effect on Cu-Co-Fe Oxide Catalysts of CO Oxidation

Autor: Byeda, O., Ischenko, E., Yatsimirsky, V.

The occurrence of compensation effect on massive and supported oxide catalysts of CO oxidation is shown. The explanation of compensation effect is offered based on the data on the surface state of the catalysts that are obtained by means of thermally

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______1456::a26aeb9e9a620e5ed434e464e8a04358
http://dspace.nbuv.gov.ua/handle/123456789/28982

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Use of Nanomodified Clinoptilolite as an Additions to Building Materials

Autor: Tsintskaladze, G.P., Tsitsishvili, V.G., Tskhvitaridze, P.E., Keshelava, B.F., Tatarashvili, G.Sh., Sharashenidze, T.V.

Natural zeolite clinoptoline from Georgian origin and its nanomodified forms have been used for modification of structures of the composite building materials. Characteristics of this zeolite have been studied by thermal analysis, IR spectroscopy, an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______1456::1f3aa2905e945bac0746dcbb34f50464
http://dspace.nbuv.gov.ua/handle/123456789/28987

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