Search Results - "Volokhov, V. M."

Relativistic Jahn–Teller Effect 2Tg × eg in Octahedral Molecules with a Heavy Central Atom by Volokhov, V. M., Poluyanov, L. V.

“…This analysis is based on taking into account the spin–orbit interaction in the form of the Breit–Pauli operator in the electron Hamiltonian of the molecule…”
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Energy Possibilities of Certain Derivatives of Azofuroxanes as Components of Solid Composite Propellants by Zyuzin, I. N., Volokhov, V. M., Lempert, D. B.

“…The energetic capabilities of three energy-intensive components containing furoxan cycles and azo groups are studied. These compounds are assessed as the main…”
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The Singlet-Triplet Interaction of 3Π and 1Σ+ States in Linear Triatomic Molecules by Volokhov, V. M., Poluyanov, L. V.

“…A two-electron model that describes the singlet-triplet interaction of the 1 Σ + and 3 Π states in linear triatomic molecules is proposed in this study. The…”
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Some High-Energy Trinitromethyl-ONN-Furazans As Binder Plasticizers in Model Solid Composite Propellants by Parakhin, V. V., Volokhov, V. M., Amosova, E. S., Akostelov, I. I., Lempert, D. B.

“…To identify promising areas for the search for high-energy materials (HEMs), there is an urgent need for a comprehensive analysis of the energy potential of…”
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Quantum-Chemical Calculations of the Enthalpy of Formation for 5/6/5 Tricyclic Tetrazine Derivatives Annelated with Nitrotriazoles by Volokhov, V. M., Parakhin, V. V., Amosova, E. S., Volokhov, A. V., Lempert, D. B., Zyubina, T. S.

“…This paper presents the study of the calculated physicochemical properties of new high-energy 5/6/5 tricyclic structures, which are 1,2,3,4- or…”
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Relativistic Renner Effect 4Π × π by Volokhov, V. M., Poluyanov, L. V.

“…The paper considers the relativistic Renner effect 4 Π × π, which occurs in linear triatomic molecules containing heavy atoms. The vibronic matrix is…”
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Vibronic and Spin-Orbit Couplings of 3Π and 3Σ+ Electronic States in Linear Triatomic Molecules by Volokhov, V. M., Poluyanov, L. V.

“…A two-electron model describing vibronic and spin-orbit couplings of 3 Π and 3 Σ + electronic states in linear triatomic molecules is proposed. The analysis is…”
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Relativistic Jahn–Teller Effect in Molecules with Point Symmetry D 4h by Poluyanov, L V, Volokhov, V M

“…The paper considers the relativistic multimode Jahn–Teller effect 2Eu × (b1g + b2g + eu) for square molecular complexes with a heavy central atom and an odd…”
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Quantum Chemical Simulation of Hydrocarbon Compounds with High Enthalpy by Volokhov, V. M., Zyubina, T. S., Volokhov, A. V., Amosova, E. S., Varlamov, D. A., Lempert, D. B., Yanovskii, L. S.

“…— Currently, new approaches are being actively developed to obtain promising new generation rocket fuels that meet the strict requirements set on the energy…”
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Predictive Modeling of Molecules of High-Energy Heterocyclic Compounds by Volokhov, V. M., Zyubina, T. S., Volokhov, A. V., Amosova, E. S., Varlamov, D. A., Lempert, D. B., Yanovskii, L. S.

“…DFT calculations at the B3LYP/6-311+G(2d,p) level and combined G4(MP2) and G4 methods within the GAUSSIAN-09 software package have been used to evaluate the…”
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Relativistic Jahn—Teller effect Gg[3/2]×(t2g + eg) in cubic and octahedral molecules by Poluyanov, L. V., Volokhov, V. M.

“…The properties of the symmetry of the vibronic Hamiltonian of the multimode relativistic Jahn—Teller effect G g [3/2]×(t 2g + e g ) in cubic and octahedral…”
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Regularities in the Dependence of the Enthalpies of Formation of Certain Conjugated Polynitrogen Heterocyclic Compounds on Their Structure by Lempert, D. B., Volokhov, V. M., Zyuzin, I. N., Kazakov, A. I., Volokhov, A. V., Amosova, E. S., Zyubina, T. S., Yanovskii, L. S.

“…In recent decades, the chemistry of rocket propellants has been actively developing in the direction of searching for new high enthalpy polynitrogen compounds,…”
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Method of Momentum Representation in the Relativistic Jan–Teller Effect G g [3/2] × (t2g + e g ) by Poluyanov, L. V., Volokhov, V. M.

“…The relativistic multimode Jahn-Teller effect Gg[3/2] × (t2g + eg), which takes place in cubic and octahedral molecular systems containing heavy atoms, is…”
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Polymeric Electrolyte Comprising a NAFION Membrane Plasticized by Dimethyl Sulfoxide and the Transport Specifics of Alkali Metal Ions in It: Quantum-Chemical Simulation by Zyubina, T. S., Sanginov, E. A., Zyubin, A. S., Dobrovolskii, Yu. A., Volokhov, V. M., Klyucharev, V. V., Bukun, N. G.

“…The first theoretical study of alkali-metal ion transport in a polymeric inorganic electrolyte based on a dimethyl sulfoxide-plasticized Nafion membrane is…”
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Modeling of electrochemical processes in solid oxide fuel cells by Averkov, I. S., Baykov, A. V., Yanovskiy, L. S., Volokhov, V. M.

“…A mathematical model of electrochemical processes in a solid oxide fuel cell is presented. A procedure for the calculation of the current—voltage…”
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Quantum-chemical modeling of lithiation–delithiation of infinite fibers [SinCm]k (k = ∞) for n = 12–16 and m = 8–19 and small silicon clusters by Zyubina, T. S., Zyubin, A. S., Dobrovol’skii, Yu. A., Volokhov, V. M.

“…In the framework of the search for promising anode materials for lithium-ion batteries and with the aim of studying the behavior of silicon–carbon composites…”
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Features of model hydrocarbon fuel oxidation for channel flow in the presence of electrostatic field by Toktaliev, P. D., Martynenko, S. I., Yanovskiy, L. S., Volokhov, V. M., Volokhov, A. V.

“…A mathematical model of the hydrocarbon fuel channel flow taking into account coke precursor deposit formation on the walls of aeroengine cooling systems and…”
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Migration of lithium ions in a nonaqueous Nafion-based polymeric electrolyte: Quantum-chemical modeling by Zyubina, T. S., Zyubin, A. S., Dobrovol’skii, Yu. A., Volokhov, V. M.

“…In the framework of the search for promising electrolytes for lithium-ion batteries. quantum-chemical modeling of the structure. Stability, and electronic…”
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Nonaqueous LiNafion-based polymeric electrolyte: quantum-chemical modeling by Zyubina, T. S., Zyubin, A. S., Dobrovol’skii, Yu. A., Volokhov, V. M.

“…In the framework of the search for promising electrolytes for lithium-ion batteries, quantumchemical modeling of the structure, stability, and electronic…”
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Interaction of solid and polymeric lithium electrolytes with composites based on carbon fibers and silicon nanoclusters: Quantum-chemical modeling by Zyubina, T.S., Zyubin, A.S., Dobrovol’skii, Yu.A., Volokhov, V.M.

“…In the framework of the search for promising electrodes and membranes for lithium-ion batteries, quantum-chemical modeling of the contact area of the solid (Li…”
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