Order results by:
| Issue | Title | |
| Vol 8, No 2 (2013) | The electron motion in the practically coulomb field | Abstract similar documents |
| D. V. Kalinovsky, E. S. Savin | ||
| "... levels of the hydrogen atom for specific quantum numbers was given. We calculated the values of several ..." | ||
| Vol 15, No 2 (2020) | Quantum chemical approach to calculating the enthalpies of the formation of alkali metal xanthates | Abstract PDF (Eng) similar documents |
| Yu. V. Popov, A. S. Dolgachev, E. V. Shishkin, Yu. L. Zotov, V. E. Shishkin | ||
| "... Objectives. The aim of this work is to study the possibility of the joint use of quantum chemical ..." | ||
| Vol 4, No 3 (2009) | Solitons in the generalized quantum hydrodynamics and the theory of lightning balls | Abstract similar documents |
| B. V. Alexeev | ||
| "... Quantum solitons are discovered with the help of generalized quantum hydrodynamics. The solitons ..." | ||
| Vol 18, No 3 (2023) | Design and synthesis of 4-nitroimidazole derivatives with potential antitubercular activity | Abstract PDF (Eng) similar documents |
| T. S. Vedekhina, M. V. Chudinov, A. Yu. Lukin | ||
| Vol 8, No 4 (2013) | THE EFFECT OF ELASTIC STRESS ON THE PROCESS OF OBTAINING InGaAs/AlGaAs QUANTUM WELL BY MOCVD | Abstract similar documents |
| Т. А. Bagaev, М. А. Ladugin, А. А. Padalitsa, А. А. Marmalyuk | ||
| "... Strained InGaAs/AlGaAs quantum wells based on GaAs substrates are successfully used in wide ..." | ||
| Vol 12, No 2 (2017) | STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED MATTER. Part I. THEORY AND EXPERIMENTAL TECHNIQUE | Abstract PDF (Eng) similar documents |
| A. A. Ischenko, Y. I. Tarasov, L. Schäfer | ||
| "... : structural dynamics, transient structures, transition state for chemical reaction, molecular quantum state ..." | ||
| Vol 14, No 4 (2019) | The development of a decision support information-modeling system for safety in the chemical industry | Abstract PDF (Eng) similar documents |
| V. V. Bannikov, T. V. Savitskaya | ||
| "... as the calculated damage zones for the scenario under identifier No. 23. Fig. 8. Calculated damage zones ..." | ||
| Vol 9, No 1 (2014) | About the charge transfer in the graphene lattice | Abstract similar documents |
| B. V. Alexeev, I. V. Ovchinnikova | ||
| "... in the frame on the nonlocal quantum hydrodynamic description is considered. With the help of the numerical ..." | ||
| Vol 4, No 6 (2009) | Investigation of the reaction of the Direct Synthesis of alkoxysilanes and organoalkoxysilanes from silicon, alcohols and ethers by quantum chemistry methods. | Abstract similar documents |
| S. P. Knyazev, A. D. Kirilin, E. A. Chernyshov, P. A. Storozhenko | ||
| "... and ethers were calculated by the Hartree-Fock, DFT (including B3LYP/6-311+G**) and other methods ..." | ||
| Vol 7, No 6 (2012) | Spectral and quantum-chemical research of antipyrine derivatives of some rare earth elements complex compounds | Abstract similar documents |
| N. S. Rukk, R. S. Shamsiev, V. V. Kravchenko, A. Yu. Skryabina, V. V. Zamalyutin | ||
| "... Data on the synthesis, IR-spectra, powder XRD studies as well as the results of quantum-chemical ..." | ||
| Vol 15, No 1 (2020) | Thermodynamic properties of L-menthol in crystalline and gaseous states | Abstract PDF (Eng) similar documents |
| A. V. Blokhin, Ya. N. Yurkshtovich | ||
| "... composite quantum chemical method. Further, the sublimation enthalpy of L-menthol was calculated using ..." | ||
| Vol 9, No 2 (2014) | Some mysterious catastrophes of the last hundred years from the point of view of non-local physics | Abstract similar documents |
| B. V. Alexeev | ||
| "... Quantum solitons are discovered with the help of generalized quantum hydrodynamics. The solitons ..." | ||
| Vol 14, No 6 (2019) | Quantum chemical investigation of the oxidative addition reaction of allyl carboxylates to Ni(0) and Pd(0) complexes | Abstract PDF (Eng) similar documents |
| K. Т. Egiazaryan, R. S. Shamsiev, V. R. Flid | ||
| "... . The study’s aim was the quantum chemical modeling of the oxidative addition stage of allylic carboxylates ..." | ||
| Vol 7, No 3 (2012) | On the non-loсal theory of the high-temperature superconductivity | Abstract similar documents |
| B. V. Alexeev | ||
| "... («lattice ion - electron») is realized when chemical bonds are absent. In terms of quantum hydrodynamics ..." | ||
| Vol 9, No 2 (2014) | To the non-local theory of charge – spin interaction in waves and particles | Abstract similar documents |
| B. V. Alexeev | ||
| "... The theory of the charge – spin interaction in waves in the frame of non-local quantum ..." | ||
| Vol 3, No 3 (2008) | Generalized quantum hydrodynamics | Abstract similar documents |
| B. V. Alexeev | ||
| "... , as a part of non-local physics. It is shown that the theory of transport processes (including quantum ..." | ||
| Vol 6, No 6 (2011) | Dicarba-nido-undecaborates: topological analysis | Abstract similar documents |
| S. P. Knyazev, E. G. Gordeev, A. Yu. Kostyukovitch, A. Yu. Shkulipa | ||
| "... , ab initio calculations, full electron density, topological analysis, quantum theory «atoms in ..." | ||
| Vol 18, No 4 (2023) | Structure of 2-nitro-2’-hydroxy-5’-methylazobenzene: Theoretical and spectroscopic study | Abstract PDF (Eng) similar documents |
| A. A. Fedorova, O. V. Lefedova, S. A. Shlykov | ||
| "... from –OH to –N=N– group in the gas phase were calculated. Conclusions. A comparison ..." | ||
| Vol 2, No 5 (2007) | Fermi contact couplings in fluoroalkylsubstituted -radicals. Relay charge effect of luмо and homo and its quantum chemical modeling by means of indo calculations | Abstract similar documents |
| D. M. Smekalkin, B. K. Novosadov, E. A. Polenov | ||
| "... INDO» значений почти плавно сочетает кривые АР с цепями C8–C6–С4, а её нижняя граница совпадает с ..." | ||
| Vol 8, No 2 (2013) | Application of non-local physical kinetics in the theory of plasmoids. Version of Gagarin air catastrophe | Abstract similar documents |
| B. V. Alexeev | ||
| "... -local physics. The unified generalized non-local theory is applied for mathematical modeling of quantum ..." | ||
| Vol 12, No 4 (2017) | STRUCTURAL DYNAMICS OF FREE MOLECULES AND CONDENSED STATE OF MATTER. Part II. TRANSIENT STRUCTURES IN CHEMICAL REACTIONS | Abstract PDF (Eng) similar documents |
| A. A. Ischenko, Y. I. Tarasov, L. Schäfer | ||
| "... of the phase trajectory of a single molecule, the molecular quantum state tomography. ..." | ||
| Vol 17, No 6 (2022) | Parameters of the UNIQUAC model for describing the vapor-liquid phase equilibrium of D2-T2, D2-DT, DT-T2 hydrogen isotope mixtures | Abstract PDF (Eng) similar documents |
| T. G. Korotkova | ||
| "... column operating in a closed mode was calculated for three variants. It was accepted that: pressure along ..." | ||
| Vol 8, No 1 (2013) | Quantum-chemical study of carborane(12) rearrangement mechanisms | Abstract similar documents |
| A. Yu. Shkulipa, S. P. Knyazev, E. G. Gordeev, A. D. Kirilin | ||
| "... ) thermal isomerization was performed by means of quantum-chemistry methods using B3LYP/6-311+G(d,p) and M ..." | ||
| Vol 13, No 6 (2018) | INTEGRAL TRANSFORMATION IN A PARTIALLY BOUNDED REGION WITH A RADIAL THERMAL FLOW | Abstract similar documents |
| E. M. Kartashov | ||
| "... region with a radial heat flow - a massive body bounded from the inside by a cylindrical cavity ..." | ||
| Vol 5, No 2 (2010) | N,N`-Bis(trimethylsilyl)carbodiimide – structure characteristics and reactivites | Abstract similar documents |
| M. G. Shamina, A. V. Gavrilova, O. A. Litova, A. D. Kirilin, V. D. Sheludyakov | ||
| "... параметры. Key words: carbodiimides, quantum-chemical methods, thermodynamic parameters. Полимерные ..." | ||
| Vol 16, No 2 (2021) | Structural characterization of hydrogen bonding for antipyrine derivatives: Single-crystal X-ray diffraction and theoretical studies | Abstract PDF (Eng) PDF (Eng) similar documents |
| N. S. Rukk, R. S. Shamsiev, D. V. Albov, S. N. Mudretsova | ||
| "... and quantum theory of atoms in molecules. Results. In the solid state, the crystal structure of compound I ..." | ||
| Vol 18, No 5 (2023) | Emergent properties of magnetic ions and nanoparticles in micellar solutions of surfactants: Use in fine technologies | Abstract PDF (Eng) PDF (Eng) similar documents |
| Yu. A. Mirgorod, N. A. Borsch, A. M. Storozhenko, L. S. Ageeva | ||
| "... obtained in aqueous micellar solutions of surfactants (aqueous quantum materials), and their use in fine ..." | ||
| Vol 8, No 5 (2013) | QUANTUM CHEMICAL MODELLING OF SYN-ANTI ISOMERIZATION IN SUBSTITUTED ALLYL-NICKEL COMPLEXES | Abstract similar documents |
| F. O. Danilov, R. S. Shamsiev | ||
| "... -C3H5)2 в присутствии норборнадиена // Изв. АН. Сер. хим. № 7. 2013. С. 1549–1552. QUANTUM ..." | ||
| Vol 1, No 4 (2006) | Quantum chemical parameters calculations for chlorine derivatives with additional rings | Abstract similar documents |
| A. A. Mezentseva, E. V. Burlyeva, A. F. Mironov | ||
| "... Quantum-mechanical calculations are the important tools for forecasting thermodynamical properties ..." | ||
| Vol 18, No 2 (2023) | Quantum chemical research of the molecular structure of 3,4-dicyanofuroxan | Abstract PDF (Eng) similar documents |
| I. N. Kolesnikova, N. V. Lobanov, V. N. Lobanov, I. F. Shishkov | ||
| "... molecule by means of molecule geometry optimization by quantum chemistry methods, verify the adequacy ..." | ||
| Vol 18, No 4 (2023) | Palladium-catalyzed allylation of norbornadiene: Experimental and quantum chemical research | Abstract PDF (Eng) similar documents |
| S. A. Durakov, K. T. Egiazaryan, R. S. Shamsiev, V. R. Flid | ||
| "... derivatives requires the complex application of synthetic, kinetic, isotopic, and quantum chemical approaches ..." | ||
| Vol 8, No 5 (2013) | HYDRODYNAMIC DESCRIPTION OF THE ELECTRON MOTION IN THE GRAPHEN CRYSTAL LATTICE | Abstract similar documents |
| B. V. Alexeev, I. V. Ovchinnikova | ||
| "... The motion of the charged particles in graphen in the frame of the quantum non-local hydrodynamic ..." | ||
| Vol 8, No 5 (2013) | THEORETICAL STUDY OF THE ADSORPTION OF PROPIONIC ACID OVER Cu1515 CLUSTERS | Abstract similar documents |
| F. O. Danilov, A. Yu. Skryabina, V. V. Zamalutin, R. S. Shamsiev | ||
| "... help in resolving this issue may have a quantum-chemical methods. This paper describes the energy ..." | ||
| Vol 8, No 5 (2013) | RATE OF CONCERT CHEMICAL REACTION AT LOW TEMPERATURES | Abstract similar documents |
| E. S. Bragina, E. S. Savin | ||
| "... temperatures, quantum statistic, density matrix. ..." | ||
| Vol 18, No 4 (2023) | Regarding certain stages of the development of quantum chemistry in Russia: Experience from the Ya.K. Syrkin Department of Physical Chemistry of the M.V. Lomonosov Institute of Fine Chemical Technologies | Abstract PDF (Eng) similar documents |
| K. V. Bozhenko | ||
| "... Objectives. To analyze the history of the development of quantum chemistry and software ..." | ||
| Vol 8, No 3 (2013) | Linear relationship between 13C NMR chemical shifts and electronic chemical potential, chemical hardness and electrophilicity index of allylic Pd(II) complexes | Abstract similar documents |
| Е. М. Evstigneeva, I. E. Sokolov, S. . Yagubpur | ||
| "... in 13C NMR spectra of substituted allylic Pd(II) complexes were calculated considering equilibrium ..." | ||
| Vol 6, No 4 (2011) | Study of separate stages of In3+ extraction using quantum chemical modeling method: an initiation stage | Abstract similar documents |
| P. P. Kochetkov, V. V. Yegorova, Yu. M. Glubokov, A. V. Krylov | ||
| "... Quantum chemical modeling of some processes, occurring upon extraction of rare and trace elements ..." | ||
| Vol 14, No 3 (2019) | Prospects of Applying Biogenic Quantum Dots of Silver, Cadmium and Zinc Sulfides Nanoparticles to Create Polymeric Bionanocomposite Materials | Abstract similar documents |
| O. A. Zhuravliova, T. A. Voeikova, S. A. Kedik, I. A. Gritskova, S. A. Gusev, V. M. Retivov, E. I. Kozhukhova, V. G. Debabov | ||
| "... of the fluorescence spectrum and identify them as quantum dots. Thus, the possibility of introducing fluorescent ..." | ||
| Vol 2, No 5 (2007) | Radical anions of substituted nitro- and dinitrobenzenes | Abstract similar documents |
| V. M. Kazakova, N. E. Minina | ||
| "... with the use of quantum-chemical MOHcalculations with Mac Lachlan correction and INDO were discussed. ..." | ||
| Vol 5, No 2 (2010) | То the relativistic kinetic and hydrodynamic theory | Abstract similar documents |
| B. V. Alexeev, I. V. Ovchinnikova | ||
| "... lead to the possibility of construction of relativistic quantum hydrodynamics. This paper can also ..." | ||
| Vol 6, No 6 (2011) | Investigation of the geometry and electronic structure of endohedral complexes Pdn@C60, n=1,…,4, by quantum chemistry methods | Abstract similar documents |
| G. E. Gal’pern, I. V. Stankevich, M. I. Skvortsova | ||
| "... investigated by a quantum chemistry method (DFT/PBE). The heat of formation ΔНf of a complex consisting of C60 ..." | ||
| Vol 15, No 2 (2020) | Stacked-cup multiwall carbon nanotubes as components of energy-intensive suspension jet fuels | Abstract PDF (Eng) similar documents |
| L. S. Karpushenkava, G. Ya. Kabo, A. V. Blokhin | ||
| "... speed of the model rockets with fuel of various compositions were also calculated. Conclusions ..." | ||
| Vol 6, No 5 (2011) | Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes | Abstract similar documents |
| O. P. Charkin, N. M. Klimenko | ||
| "... Review of results of quantum-chemical calculations of potential energy surfaces performed ..." | ||
| Vol 9, No 6 (2014) | Some regularities of liquid-phase catalytic disproportionation of γ-trifluoropropylmethyldichlorosilane in ethyland phenylchlorosilanes presence | Abstract similar documents |
| V. G. Lakhtin, M. I. Eremeeva, E. G. Gordeev, N. V. Ushakov, V. G. Bykovchenko, A. D. Kirilin, E. A. Chernyshev | ||
| "... to ethylchlorosilanes. A scheme explaining the obtained results is proposed, and quantum-chemical calculations ..." | ||
| Vol 8, No 2 (2013) | Simulation of vapor-liquid equilibrium in system: a,g-dichlorohydrin–Α-monochlorohydrin–glycerol–hydrogen chloride–water | Abstract similar documents |
| S. M. Zanaveskina, Yu. A. Pisarenko, G. S. Dmitriev, L. N. Zanaveskin | ||
| "... of the NRTL equation. Satisfactory agreement between the calculated values and experimental data was achieved ..." | ||
| Vol 12, No 2 (2017) | γ-PNA PREORGANIZATION: SYNTHESIS OF MODEL DIMER AND ITS STRUCTURE STUDY BY 2D NMR SPECTROSCOPY | Abstract similar documents |
| A. V. Dezhenkov, D. A. Cheshkov, I. A. Prokhorov, A. I. Lutik, Yu. G. Kirillova | ||
| "... , and the elemental composition was estimated by quantitative elemental analysis. The double quantum filtered COSY-NMR ..." | ||
| Vol 15, No 4 (2020) | The reactivity of cinnamic acid derivatives as lignin precursors | Abstract PDF (Eng) similar documents |
| O. K. Karimov, G. Y. Kolchina, G. A. Teptereva, I. A. Chetvertneva, E. K. Karimov, A. R. Badretdinov | ||
| "... performed using the Firefly program. Results. A comparative quantum chemical calculation of the geometric ..." | ||
| Vol 1, No 3 (2006) | Key intermediates of catalytic reactions with norbornadiene participation | Abstract similar documents |
| E. M. Evstigneeva, R. S. Shamsiev, V. R. Flid | ||
| "... of such intermediates by methods of quantum chemistry is described. ..." | ||
| Vol 15, No 6 (2020) | Alcoxotechnology for obtaining heat-resistant materials based on rhenium and ruthenium | Abstract PDF (Eng) similar documents |
| E. S. Kulikova, O. V. Chernyshova, L. A. Nosikova, R. D. Svetogorov, D. V. Drobot, I. A. Mikheev | ||
| "... established. Previously conducted quantum chemical calculations on the possibility of replacing rhenium atoms ..." | ||
| Vol 4, No 4 (2009) | Masstransfusion of dibutylsebacinate in butadien-acrylonitrylic and butadien-methylstyrolic vulcanizates | Abstract similar documents |
| S. V. Fomin, E. S. Shirokova | ||
| "... and butadien-methylstyrolic vulcanizates was calculated. Parameters describing compatibility of plasticizer ..." | ||
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