Search Results - "Zhidomirov, G. M."

Adsorption of O 2 on Ag(111): Evidence of Local Oxide Formation by Andryushechkin, B. V., Shevlyuga, V. M., Pavlova, T. V., Zhidomirov, G. M., Eltsov, K. N.

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Theoretical Analysis of Oxidative Carbonylation of Methanol: Saegusa’s Scheme of Dimethylcarbonate Synthesis over Binuclear Cationic Oxo-Clusters in CuNaX Zeolite by Rybakov, A. A, Bryukhanov, I. A, Larin, A.V, Zhidomirov, G. M

“…Possible mechanism of oxidative carbonylation of methanol via >Cu­(OCH3)2Cu< binuclear cationic oxo-clusters in the CuNaX zeolite with Cu2+ cations is analyzed…”
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Different limits for convergent Pd-Pd lengths in Pd slabs grown over different oxides by Rybakov, A. A., Bryukhanov, I. A., Larin, A. V., Todorova, S., Zhidomirov, G. M.

“…The question about possible influence of oxide support on the structure of deposited metal slabs was discussed for a series of TiO 2 (rutile), tetragonal form…”
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Theoretical Study of Deoxygenation of Esters on Small Pt–Sn Intermetallic Clusters by Zavelev, D. E., Zhidomirov, G. M., Tsodikov, M. V.

“…The mechanisms of reactions occurring during deoxygenation of esters on Pt and intermetallic Pt–Sn catalysts (hydrodeoxygenation (stepwise and concerted…”
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DFT cluster modeling of molecular and dissociative hydrogen adsorption on Zn2+ ions with distant placing of aluminum in the framework of high-silica zeolites by SHUBIN, A. A, ZHIDOMIROV, G. M, KAZANSKY, V. B, VAN SANTEN, R. A

“…The problem of various cationic positions in zeolites with high Si/Al ratio in the framework is discussed. The statistical distribution of aluminum in the…”
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Theoretical Study of Interaction between Hydrogen and Small Pt–Sn Intermetallic Clusters by Zavelev, D. E., Zhidomirov, G. M., Tsodikov, M. V.

“…Small clusters, which simulate the active sites of Pt–Sn intermetallics exhibiting a high level of activity and selectivity in the deoxygenation reaction of…”
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Structural transformations on an oxidized Ag(111) surface by Andryushechkin, B. V., Shevlyuga, V. M., Pavlova, T. V., Zhidomirov, G. M., Eltsov, K. N.

“…The structure of the Ag(111) surface after the adsorption of molecular oxygen at a temperature of 300 K is studied by low-temperature scanning tunneling…”
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Structural paradox in submonolayer chlorine coverage on Au(111) by Zheltov, V. V., Cherkez, V. V., Andryushechkin, B. V., Zhidomirov, G. M., Kierren, B., Fagot-Revurat, Y., Malterre, D., Eltsov, K. N.

“…In this work, we present a combined low-temperature scanning tunneling microscopy (STM) and density functional theory (DFT) study of chlorine adsorption on…”
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Chlorine adsorption on Cu(111) revisited: LT-STM and DFT study by Andryushechkin, B.V., Zheltov, V.V., Cherkez, V.V., Zhidomirov, G.M., Klimov, A.N., Kierren, B., Fagot-Revurat, Y., Malterre, D., Eltsov, K.N.

“…Adsorption of chlorine atoms on the Cu(111) surface has been studied with low-temperature scanning tunneling microscopy (LT-STM) in a combination with density…”
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Structural transformations of Cu(110) surface induced by adsorption of molecular chlorine by Andryushechkin, B.V., Cherkez, V.V., Pavlova, T.V., Zhidomirov, G.M., Eltsov, K.N.

“…The adsorption of molecular chlorine on Cu(110) has been studied by scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) in the…”
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Ni-Doped Epitaxial Graphene Monolayer on the Ni(111) Surface by Kovalenko, S. L., Pavlova, T. V., Andryushechkin, B. V., Zhidomirov, G. M., Eltsov, K. N.

“…Nickel-doped graphene has been synthesized from propylene on the Ni(111) surface and studied using scanning tunneling microscopy (STM) and density functional…”
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Possible molecular structure of promoted Lewis acidity sites in ZnZSM-5 by Zhidomirov, G. M., Shubin, A. A., Kazansky, V. B., Van Santen, R. A.

“…It is suggested that the abnormal methane IR frequency shift observed in ZnZSM‐5 zeolites is caused by adsorptive interaction of CH4 with particularly strong…”
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Ion-Exchanged Binuclear Clusters As Active Sites of Selective Oxidation over Zeolites by Zhidomirov, G. M, Larin, A. V, Trubnikov, D. N, Vercauteren, D. P

“…A new catalytic oxidation cycle over binuclear Zn- and Ca-cation clusters in zeolites is proposed. Intermediate active clusters appear due to trapping of…”
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Ion-exchanged binuclear Ca₂OX clusters, X = 1-4, as active sites of selective oxidation over MOR and FAU zeolites by Larin, A.V, Zhidomirov, G.M, Trubnikov, D.N, Vercauteren, D.P

“…A new series of calcium oxide clusters Ca₂OX (X = 1-4) at cationic positions of mordenite (MOR) and faujasite (FAU) is studied via the isolated cluster…”
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Oxidative addition of dihydrogen as the key step of the active center formation in the HDS sulfide bimetallic catalysts: ab initio MO/MP2 study by Zakharov, I.I., Startsev, A.N., Zhidomirov, G.M., Parmon, V.N.

“…The electronic structure of Ni in the sulfide bimetallic species (SBMS), which is the active component of the sulfide HDS catalysts, is studied with the ab…”
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Interaction with charge carriers and the optical absorption spectrum of an associate formed by elementary defects (an oxygen vacancy and a silylene center) in SiO2 by Patrakov, A. E., Gritsenko, V. A., Zhidomirov, G. M.

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Study of high-temperature oxygen states on the silver surface by XPS and UPS by AI Boronin, Koscheev, S V, Malakhov, V F, Zhidomirov, G M

“…XPS and UPS methods have been used to study the nature of the oxygen states on silver. Three oxygen states with high Eb(O1s)=530.5 eV(Oepox), 530.9 eV (Oβ),…”
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Spin States of Iron-Nitrosyl Adsorption Complexes Formed in Fe-ZSM5 Zeolites by Malykhin, S. E., Volodin, A. M., Zhidomirov, G. M.

“… The capability of extra-framework monoiron sites to adsorb up to three NO molecules has been proven by quantum chemical calculations. Spin states of…”
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On the stability of copper(II) organic compounds with the σ bond Cu-C: A quantum-chemical study by Golubeva, E. N, Zhidomirov, G. M, Kokorin, A. I

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Electron structure of oxygen complexes of ferrous ion center by Malykhin, S., Zilberberg, I., Zhidomirov, G.M.

“…The electron structure of ferryl ion [FeO] 2+ active in oxidation of hydrocarbons is studied using CASSCF theory followed by ISA-MRMP correction. [FeO] 2+ is…”
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