Search Results - "Solov'ev, M. M."

Quantum-Chemical Modeling of Radical Reactions of Isoprene Rubber with Sulfur and N-Cyclohexyl-2-benzthiazolylsulphenamide by Solov’ev, M. E., Vlasov, V. V.

“…The DFT B3LYP/6-311G** quantum-chemical density functional theory is used to calculate the change in the total electron energy upon initiation and crosslinking…”
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Simulation of Local Dynamics of Intermolecular Interactions in Nitrile-Butadiene Copolymers with Carboxyl and Hydroxyl Groups by Solov’ev, M. E., Raukhvarger, A. B., Irzhak, V. I.

“…The structure and dynamics of intermolecular complexes formed by carboxyl and hydroxyl groups in nitrile-butadiene copolymers are studied. The energy of…”
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Saturation Vapor Pressure of Water over Sodium Borohydride Dihydrate by Shikhovtsev, A. V., Kravchenko, O. V., Vinokurov, A. A., Solov’ev, M. V., Tsvetkov, M. V., Dobrovol’skii, Yu. A.

“…The relative humidity and saturated water vapor pressure resulted from the reversible equilibrium dissociation of crystalline NaBH 4 ·2H 2 O in the temperature…”
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Quantum-Chemical Simulation of Molecular Hydrogen Abstraction from Magnesium Borohydride Triammoniate by Zyubin, A. S., Zyubina, T. S., Kravchenko, O. V., Solov’ev, M. V., Vasiliev, V. P., Zaitsev, A. A., Shikhovtsev, A. V., Dobrovol’sky, Yu. A.

“…Successive abstraction of H 2 from the Mg(BH 4 ) 2 ⋅ n NН 3 ( n = 2, 3, 4) and (Mg(BH 4 ) 2 ⋅3NН 3 ) 2 complexes has been modeled within the framework of the…”
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Quantum–Chemical Simulation of Molecular Hydrogen Abstraction from Magnesium Borohydride Diammoniate by Zyubin, A. S., Zyubina, T. S., Kravchenko, O. V., Solov’ev, M. V., Vasiliev, V. P., Zaitsev, A. A., Shikhovtsev, A. V., Dobrovol’sky, Yu. A.

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Seismological Observations during a Landslide on the Dump at the Kolyvan Anthracite Deposit (Novosibirsk Region) by Seleznev, V. S., Liseikin, A. V., Emanov, A. F., Solov’ev, V. M.

“…This paper reports the results of satellite image and seismological data analysis obtained when considering the causes of a landslide on the Yelbashinskii dump…”
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SmS/SiC Heterostructure and Its Associated Thermovoltaic Effect by Kaminskii, V. V., Lebedev, A. O., Solov’ev, S. M., Sharenkova, N. V.

“…A heterostructure based on single-crystal SiC and a polycrystalline SmS thin film has been studied. In the temperature interval 300–456 K, the thermovoltaic…”
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Numerical implementation of an iterative method with boundary condition splitting for solving the nonstationary stokes problem on the basis of an asymptotically stable two-stage difference scheme by Solov’ev, M. B.

“…A new numerical implementation of a fast-converging iterative method with splitting of boundary conditions is constructed for solving the Dirichlet…”
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Metabolism of a New Antiaggregant, Indolinone Derivative by Bykov, V. V., Leonov, K. A., Serebrov, V. Yu, Chernysheva, G. A., Smol’yakova, V. I., Solov’ev, M. A., Udut, E. V., Fisenko, V. P., Udut, V. V.

“…Cytochrome p450-mediated metabolism of GRS (indolinone antiaggregant) and its effects on activities of cytochrome p450 isoenzymes were studied. Inhibition of 6…”
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Quantum-chemical simulation of nanoparticle formation from copper carboxylates by Solov’ev, M. E., Irzhak, V. I.

“…The DFT B3LYP/6-31G** quantum-chemical method has been employed to study the structure of copper carboxylate complexes and clusters composed of copper atoms…”
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Correlation between the Thermodynamic and Kinetic Parameters of the Oxidation Reactions of Substituted Mononuclear Arenes in the Presence of N-Hydroxyphthalimide by Solov’ev, M. E., Kurganova, E. A., Frolov, A. S., Koshel’, G. N.

“…The effect the structure of substituted mononuclear arenes has on the thermodynamic functions of reactions during their oxidation in the presence of N…”
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Production and Properties of Wood–Coal Fuel Briquettes by Popov, S. N., Burenina, O. N., Nikolaeva, L. A., Solov’ev, T. M.

“…An optimum composition and technological regimes of the production of composite wood–coal fuel briquettes from fine brown coal of the Kangalas deposit in the…”
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Analyzing the Composition and Structure of Mammuthus primigenius Tusk by Methods of Thermogravimetric and X-Ray Analysis by Solov’ev, T. M., Petukhova, E. S., Botvin, G. V., Isakova, T. A., Pavlova, V. V.

“…The paper presents the results of studying the composition and phase transitions occurring at thermal treatment of tusk of Mammuthus primigenius by the…”
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The Thermovoltaic Effect in Cerium Sesquisulphide by Kaminskii, V. V., Solov’ev, S. M., Sharenkova, N. V., Hirai, Shinji, Kubota, Yohei

“…The thermovoltaic effect in cerium sesquisulphide (Ce 2 S 3 ) is found. Measurements are carried out in a temperature range of 300–455 K. The maximum value of…”
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Simulation and synthesis of graphene oxide from expanded graphite by Solov’ev, M. E., Raukhvarber, A. B., Savinskii, N. G., Irzhak, V. I.

“…Expanded graphite oxide and multilayered graphene oxide have been synthesized. The processes of thermal expansion of intercalated graphite and oxidation of…”
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Quantum chemical study of regioselectivity of reactions of substituted pyrido[1,2-a]benzimidazoles with electrophiles by Begunov, R. S., Sokolov, A. A., Belova, V. O., Solov’ev, M. E.

“…The geometric, charge, and electronic characteristics of 7-substituted pyrido[1,2- a ]benzimidazoles and their cations were calculated using the DFT method…”
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Model of Thermally Expanded Graphite Formation under the Effect of Intercalate by Raukhvarger, A. B., Solov’ev, M. E., Irzhak, V. I.

“…A thermodynamic model for describing the thermal expansion of intercalated graphite is proposed. An individual intercalate molecule (which, being in an…”
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Kinetics of formation of nanoparticles from first group metal carboxylates by Solov’ev, M. E., Irzhak, T. F., Irzhak, V. I.

“…A kinetic model of the formation of metal nanoparticles via reduction of their carboxylates under conditions of clustering is proposed. It is found that the…”
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Dihydrogen Elimination from Hydrated Magnesium Borohydride: Quantum-Chemical Modeling by Zyubin, A. S., Zyubina, T. S., Kravchenko, O. V., Solov’ev, M. V., Tsvetkov, M. V., Zaitsev, A. A., Dobrovol’skii, Yu. A.

“…The successive elimination of H 2 from Mg(BH 4 ) 2 · n H 2 O ( n = 1, 4, 6), (Mg(BH 4 ) 2 ) 2 · 8H 2 O, and (Mg(BH 4 ) 2 ) 4 · 4H 2 O complexes has been…”
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Quantum-chemical modeling of dehydrogenation of a sodium borohydride molecule in water by Zyubin, A. S., Zyubina, T. S., Kravchenko, O. V., Solov’ev, M. V., Dobrovol’skii, Yu. A.

“…The successive elimination of Н 2 from a NaBH 4 molecule surrounded by a few (up to eight) water molecules has been modeled in the framework of the cluster…”
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