Search Results - "Khamitov, E. M."

Effect of the Silicon Atom on the Electron Density Distribution in the Molecules of Organosilicon 1,2-Hydroxyamines by Khamitov, E. M., Konkina, I. G., Tsyrlina, E. M., Lobov, A. N., Ivanov, S. P.

“…The nature of the influence of the silicon atom on remote nitrogen and oxygen atoms in the molecules of 4-(dimethylamino)-1,1-diethylsilacyclopentan-3-ol and…”
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A Chiral Voltammetric Sensor Based on a Paste Electrode Modified by Cyanuric Acid for the Recognition and Determination of Tyrosine Enantiomers by Zil’berg, R. A., Maistrenko, V. N., Kabirova, L. R., Gus’kov, V. Yu, Khamitov, E. M., Dubrovskii, D. I.

“…An enantioselective voltammetric sensor based on graphitized carbon black (Carboblack C) paste electrode modified by cyanuric acid (CA) was developed for the…”
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ReaxFF Molecular Dynamics Simulation of the Cracking of Components of Vacuum Gasoil in the Presence of a Nickel Nanocluster by Shayakhmetova, R. Kh, Khamitov, E. M.

“…ReaxFF molecular dynamics simulation of the cracking of the paraffin, naphthene, and aromatic components of vacuum gasoil with and without a Ni 468…”
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Theoretical Study of 5,5,6-Trihydroxy-6-methyldihydropyrimidine-2,4-dione Enantiomers by Khamitov, E. M., Petrova, S. F., Il’ina, M. G., Nugumanov, T. R., Lobov, A. N., Ivanov, S. P.

“…The thermodynamic stability of the axial ( а ) and equatorial ( е ) forms of the S - and R -enantiomers of…”
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Evaluation of Electrochemical Stability of Substituted Sulfolanes Based on Bond Orders by Khamitov, E. M., Kuz’mina, E. V., Karaseva, E. V., Kolosnitsyn, V. S.

“…To assess the effect of substituents on the bond strength in the substituted sulfolanes and their electrochemical stability, a quantum-chemical study of 35…”
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Structural Features of Statistically Significant Complexes Formed in the 0.5 mol/kg LiDFOB SL/DMC System by Evshchik, E. Yu, Ilyina, M. G., Khamitov, E. M., Chernyak, A. V., Pugacheva, T. A., Borisevich, S. S., Dobrovolsky, Yu. A.

“…Determining the oxidation potential of lithium-ion battery electrolytes using theoretical methods will significantly speed up and simplify the process of…”
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Algorithm for Theoretical Assessment of the Electrochemical Stability of Electrolytes in Lithium-Ion Batteries by the Example of LiBF4 in the EC/DMC Mixture by Borisevich, S. S., Evshchik, E. Yu, Il’ina, M. G., Khamitov, E. M., Mel’nikova, T. I., Rubtsov, R. Yu, Bushkova, O. V., Dobrovol’skii, Yu. A.

“…The resistance of electrolytes to oxidative decomposition on the positive electrode surface is one of barriers that complicate the development of rechargeable…”
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Modeling the Self-Assembly of 5-Hydroxy-6-methyluracil within Electrostatic Potential Approach by Shayakhmetova, R. Kh, Khamitov, E. M., Mustafin, A. G.

“…The sites of reactions in 5-hydroxy-6-methyluracil (HMU) and its dimeric and tetrameric associates are studied theoretically in terms of the electrostatic…”
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Theoretical Study of the Electrochemical Reduction of Sulfur in Lithium–Sulfur Cells: The Formation of Lithium Octasulfide by Khamitov, E. M., Kuzmina, E. V., Kolosnitsyn, D. V., Kolosnitsyn, V. S.

“…Results are presented from quantum-chemical simulations of the first stage of the electrochemical reduction of sulfur S 8 to Li 2 S 8 . The thermal effects of…”
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Analysis of the Adsorption Activity of the UVIS-AK Carbon Fiber towards Phenols Dissolved in Water by Valinurova, E. R., Shaimukhametova, G. F., Khamitov, E. M., Shayakhmetova, R. Kh

“…The adsorption properties of UVIS-AK carbon fibers and BAU-A and SPDK-27MD carbons used for extracting phenols from water under static conditions were…”
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An enantioselective voltammetric sensor for the recognition of propranolol stereoisomers by Sidel’nikov, A. V., Maistrenko, V. N., Zil’berg, R. A., Yarkaeva, Yu. A., Khamitov, E. M.

“…An enantioselective voltammetric sensor for the recognition of propranolol stereoisomers is developed based on a carbon-paste electrode modified with uracil…”
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Quantum-chemical calculations of the relative stability of the keto-enol tautomers of 5-chlorouracyl by Lukmanov, T. I., Abdrakhimova, G. S., Khamitov, E. M., Ivanov, S. P.

“…Relative energies (by MP4(SQTQ)/def2-TZVPP) for 13 tautomeric conformers of 5-chlorouracyl in the gas phase and in solution with consideration of nonspecific…”
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Sorption of aniline derivatives on carbon fabric by Fazylova, G. F., Valinurova, E. R., Khamitov, E. M., Kudasheva, F. Kh

“…The statistical adsorption of the chloro- and nitroderivatives of aniline on carbon fabric UVIS-AK was studied. The sorption isotherms of anilines on carbon…”
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Experimental and quantum-chemical studies of the reactions of 6-methyluracil with succinic and fumaric acids by Terent’ev, A. O., Borisova, N. S., Khamitov, E. M., Zimin, Yu. S., Mustafin, A. G.

“…Possible structures of 6-methyluracil complexes with succinic and fumaric acids are studied by quantum-chemical means. The possibility of complex formation…”
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Erratum to: “Quantum-Chemical Calculations of the Relative Stability of the Keto-Enol Tautomers of 5-Chlorouracyl” by Lukmanov, T. I., Abdrakhimova, G. S., Khamitov, E. M., Ivanov, S. P.

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Prognostication of the anticorrosive activity in the series of pentenylarylamines and their industrial introduction by Khusnitdinov, R. N., Khamitov, E. M., Khusnitdinov, K. R., Gataullin, R. R., Khursan, S. L., Mustafin, A. G., Abdrakhmanov, I. B.

“…Quantum-chemical parameters and regression analysis were used to predict and synthesize a number of compounds with the highest inhibiting activity in the…”
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