Order results by:
| Issue | Title | |
| Vol 6, No 5 (2011) | Theoretical study of activation barriers for the stepwise dehydrogenation of the The tetrahydroaluminate molecule | Abstract similar documents |
| A. A. Mikhaylin, N. M. Klimenko, O. P. Charkin | ||
| "... the density functional (B3LYP) and coupled cluster (CCSD(T)) methods with the 6-311++G** basis set. ..." | ||
| Vol 6, No 6 (2011) | Theoretical study of activation barriers for the stepwise dehydrogenation reactions of ammine magnesium borohydride and alumohydride complexes | Abstract similar documents |
| A. A. Mikhaylin, O. P. Charkin, N. M. Klimenko | ||
| "... functional (B3LYP) and coupled cluster (CCSD(T)) methods with the 6-311++G** basis set. ..." | ||
| Vol 6, No 3 (2011) | Theoretical study of the | Abstract similar documents |
| A. A. Mikhaylin, N. M. Klimenko, O. P. Charkin | ||
| "... Theoretical calculations of the potential energy surfaces along the minimum energy pathway have ..." | ||
| 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 | ||
| "... crystalline and gaseous states. Methods. To determine the combustion energy of L-menthol in the crystalline ..." | ||
| 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 | ||
| "... functional theory at a temperature of 298.15 K for the gas phase at B3LYP/6-311++G(d, p) and M06-2X/6-311++G ..." | ||
| 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 6, No 4 (2011) | Thermodynamic stability of isomers of mono- and dianions of dicarba-nido-undecaborates | Abstract similar documents |
| S. P. Knyazev, A. Yu. Kostiokovitch | ||
| "... -undecaborates were calculated by DFT (B3LYP/6-31G**, B3LYP/6-311+G**, M062X/6-311+G**, PCM/B3LYP/6-311+G**), MP2 ..." | ||
| Vol 15, No 5 (2020) | Determining the phase stability of luminescent materials based on the solid solutions of oxyorthosilicates (Lu1−xLnx)[(SiO4)0.5O0.5], where Ln = La−Yb | Abstract PDF (Eng) PDF (Eng) similar documents |
| E. I. Get’man, Yu. A. Oleksii, S. V. Radio, L. I. Ardanova | ||
| "... . Methods. The V.S. Urusov’s crystal energy theory of isomorphous substitutions and a crystallochemical ..." | ||
| Vol 16, No 5 (2021) | Synthesis and X-ray-graphical characteristics of the MеSn2F5 (Mе = Na, K, Rb, Cs) fluoride-ion conductors | Abstract PDF (Eng) similar documents |
| R. M. Zakalyukin, E. A. Levkevich, A. V. Nikolaeva | ||
| Vol 2, No 1 (2008) | Theoretical study of acidity of dicarbacloso-dodecaboranes(12) and their chloroderivatives | Abstract similar documents |
| S. Р. Knyazev, E. G. Gordeev, E. A. Chernyshev | ||
| "... by RHF, DFT(B3LYP) and MP2 methods (6-31G** and 6-311++G**). The analysis of electronic structure ..." | ||
| Vol 16, No 1 (2021) | Neutron-diffraction study of the cubic-tetragonal phase structural transition in the single crystals of the solid solutions of zirconium and yttrium oxides | Abstract PDF (Eng) similar documents |
| V. A. Sarin, A. A. Bush | ||
| "... тетрагональной компоненты (вращение осей элементарной ячейки на 90° вокруг осей a (b)), возникающего при фазовом ..." | ||
| Vol 7, No 1 (2012) | Mathematical modelling of vapor-liquid equilibrium in system of products of propylene oxide synthesis in a methanol medium | Abstract similar documents |
| M. S. Danov, V. A. Sulimov, A. A. Ovcharov | ||
| "... Вестник МИТХТ, 2012, т. 7, № 1 34 ТЕОРЕТИЧЕСКИЕ ОСНОВЫ ХИМИЧЕСКОЙ ТЕХНОЛОГИИ УДК 547-311 ..." | ||
| 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 order of 100 fs, which corresponds to the transition of the system through the energy barrier ..." | ||
| 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 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 10, No 6 (2015) | Nanosized phases with titanium(IV) oxides. Preparation. Characterisation. Properties | Abstract similar documents |
| G. M. Kuzmicheva | ||
| "... НЕОРГАНИЧЕСКИХ МАТЕРИАЛОВ УДК 54.057+54-31+54.02+54.01 НАНОРАЗМЕРНЫЕ СИСТЕМЫ C ОКСИДАМИ ТИТАНА(IV). ПОЛУЧЕНИЕ ..." | ||
| 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 | ||
| "... of acids. Conclusions. Two different methods were used to calculate the geometric, electronic, and energy ..." | ||
| Vol 18, No 6 (2023) | Fluorination of titanomagnetite concentrate with ammonium bifluoride | Abstract PDF (Eng) similar documents |
| A. N. Dyachenko | ||
| "... is 30.6% and the content of impurities (Fe, V, Si) is a minimum (0.45%). The activation energy ..." | ||
| Vol 1, No 2 (2006) | Thermodynamic factors of dicarba-closododecaboranes(12) configuraction stability | Abstract similar documents |
| S. P. Knyazev, E. G. Gordeev, E. A. Chernyshov | ||
| "... analyzed at B3LYP/6-311G(2d,2p) level of theory. Thermodynamic parameters of these reactions were ..." | ||
| Vol 11, No 2 (2016) | STRUCTURE AND DIELECTRIC PROPERTIES OF NANOCOMPOSITES: OPAL MATRIX - TITANIUM OXIDE AND RARE-EARTH TITANATES | Abstract PDF (Eng) similar documents |
| M. I. Samoylovich, А. F. Belyanin, A. S. Bagdasaryan, V. Bovtun | ||
| "... (опаловых матриц), содержащих в межсферических полостях кластеры кристаллических фаз оксидов титана (TiO2 и ..." | ||
| Vol 5, No 6 (2010) | Energy cost and energy saving in distillation (rectification) of binary and ternary mixtures | Abstract similar documents |
| M. K. Zakharov, A. A. Dovbish | ||
| "... Influence of difficulty of separation for energy cost in distillation and rectification was studied ..." | ||
| Vol 5, No 3 (2010) | Linear free energy relationships in theoretical NMR 13С spectra of sin-[(1-R-η3 -C3H4)Pd(Me2C=O)2]+ complexes | Abstract similar documents |
| M. H. Elhussien, E. M. Evstigneeva, V. R. Flid | ||
| "... Both theoretical values of NMR 13С chemical shifts and frontier orbital energies (DFT method ..." | ||
| Vol 15, No 4 (2020) | Energy saving in the extractive distillation of isobutyl alcohol–isobutyl acetate with n-butyl propionate | Abstract PDF (Eng) similar documents |
| P. S. Klauzner, D. G. Rudakov, E. A. Anokhina, A. V. Timoshenko | ||
| "... was carried out according to the criterion of total energy costs in the reboilers of the columns ..." | ||
| Vol 11, No 3 (2016) | The role of the interfacial layer in time -temperat ure dependence of the electrical resistance of hi gh-density polyethylene /carbon black composites | Abstract PDF (Eng) similar documents |
| N. N. Komova | ||
| "... energy of increasing resistance in the initial period of the sample treatments is calculated. It is shown ..." | ||
| Vol 15, No 2 (2020) | Molybdenum(VI) oxide: New methods of synthesis and properties | Abstract PDF (Eng) similar documents |
| E. E. Nikishina, E. N. Lebedeva, D. V. Drobot | ||
| "... . In particular, these compounds are potential candidates for efficient electrochemical energy storage systems ..." | ||
| Vol 14, No 5 (2019) | Comparison of alternative methods for methyl acetate + methanol + acetic acid + acetic anhydride mixture separation | Abstract PDF (Eng) similar documents |
| A. V. Frolkova, Yu. I. Shashkova, А. К. Frolkova, М. A. Mayevskiy | ||
| "... [15], or mixed [16] entrainers. Thus, each flowsheet will be characterized by its energy consumption ..." | ||
| Vol 17, No 6 (2022) | Evaluation of the influence of hydrodynamic cavitation treatment of dark petroleum products on the yield of fractions with boiling points up to 400°C | Abstract PDF (Eng) similar documents |
| B. V. Peshnev, E. V. Burlyaeva, V. B. Terenteva, D. V. Nikishin, A. I. Nikolaev, K. S. Andronov | ||
| "... with the transition to alternative energy sources. However, some of these have only regional significance, while ..." | ||
| Vol 11, No 5 (2016) | OBTAINING ACTIVE COMPONENTS (Tа, Rа) of BIMETALLIC CATALYSTS ON γ-Al2O3 AND TiO2 MATRICES | Abstract PDF (Eng) similar documents |
| E. S. Kulikova, D. V. Drobot, A. V. Chistyakov, M. V. Tsodikov | ||
| "... . Demirbas A. // Energy Edu SciTechnol. 2006. V. 16. P. 53–109. 4. Zharova P.A., Chistyakov A.V., Zavelev D ..." | ||
| Vol 7, No 3 (2012) | Composites on the basis of Y2O3 submicron spheres functionalized with nanosize titania: preparation and characterization | Abstract similar documents |
| N. A. Dulina, L. N. Obolenskaya, A. V. Tolmachev, O. M. Vovk, E. V. Savinkina, G. M. Kuzmicheva, N. V. Sadovskaya, N. A. Prokudina | ||
| "... модификаций диоксида титана со структурами анатаза и η-модификации и Degussa P25 на субмикронные сферы Y2O3 ..." | ||
| Vol 4, No 2 (2009) | Electrowire and magnetic elastomer materials and multipurpose goods. | Abstract similar documents |
| A. E. Kornev, N. Yа. Ovsyannikov | ||
| "... 678.4:537.311 ЭЛАСТОМЕРНЫЕ ЭЛЕКТРОПРОВОДНЫЕ И МАГНИТНЫЕ МАТЕРИАЛЫ И ИЗДЕЛИЯ МНОГОЦЕЛЕВОГО НАЗНАЧЕНИЯ ..." | ||
| Vol 4, No 6 (2009) | About the nature of the background in the internal friction spectrum of polycrystalline palladium | Abstract similar documents |
| A. A. Gorshkov, V. A. Lomovskoy, E. K. Naimi | ||
| "... , activation energy, relaxation time. Анализ диссипативных процессов по спектрам внутреннего трения (ВТ) в ..." | ||
| Vol 5, No 5 (2010) | Heat transfer in the circuit of a crystal polymer | Abstract similar documents |
| A. L. Matveeava, E. S. Savin | ||
| "... . Characteristics of nonlinear excitations of both types were determined. From the viewpoint of energy transport ..." | ||
| Vol 14, No 1 (2019) | DEVELOPMENT OF TECHNOLOGY FOR PRODUCTION OF PLASTICIZERS ON THE BASIS OF TRIMETHYLOLPROPANE | Abstract similar documents |
| A. Yu. Aleksandrov, E. L. Krasnykh, S. V. Levanova, I. L. Glazko, O. D. Lukin | ||
| "... by alcohol and catalyst under the conditions studied; the value of the observed activation energy ..." | ||
| Vol 2, No 3 (2007) | Electron-rich metal phenanthrocyanine – new class of tetraazachromophor complexes of d-elements | Abstract similar documents |
| V. N. Demidov, V. G. Puzenko, A. I. Savinova, N. S. Panina, T. B. Pachomova, L. N. Vedeneeva, S. A. Simanova | ||
| "... элементарными процессами электронного и протонного переноса на стадии инициирования C(sp2 )H-C(sp2 )H-сочетания. ..." | ||
| Vol 19, No 3 (2024) | Solid solutions in disulfide systems Re(IV)S2–Ti(IV)S2, Re(IV)S2–Mo(IV)S2, and Re(IV)S2–W(IV)S2 | Abstract PDF (Eng) similar documents |
| E. I. Efremova, M. A. Lazov, M. R. Kobrin, V. V. Fomichev | ||
| "... calculated. Based on data relating to the binding energies of core electrons with the nucleus, the study ..." | ||
| Vol 12, No 5 (2017) | ACETONE-CHLOROFORM-n-BUTANOL MIXTURE SEPARATION BY THE EXTRACTIVE DISTILLATION IN SCHEMES OF TWO-OUTLET COLUMNS | Abstract similar documents |
| E. А. Anokhina, I. M. Gracheva, A. Yu. Akishin, А. V. Timoshenko | ||
| "... -outlet column schemes is considered. Optimal parameters according to the total energy consumption ..." | ||
| Vol 11, No 4 (2016) | STUDY OF MECHANISMS OF LIGHT ABSORPTION IN TITANIUM DIOXIDE FILMS | Abstract PDF (Eng) similar documents |
| V. V. Novopashin, L. A. Skvortsov, M. I. Skvortsova | ||
| "... Показано, что при напылении пленок диоксида титана методом реактивного термоиспарения использование ..." | ||
| 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 | ||
| "... increase in the volumetric energy of the fuel combustion. The purpose of the current study ..." | ||
| Vol 9, No 4 (2014) | Polyelectrolyte microcapsules modified with nanoscale titanium dioxide for targeted drug delivery | Abstract similar documents |
| P. А. Demina, Е. V. Degtyareva, G. M. Kuz’micheva, T. V. Bukreeva | ||
| "... полидиаллилдиметиламмноний-полистиролсульфонатной оболочки, модифицированной наноразмерным диоксидом титана со структурой ..." | ||
| Vol 9, No 1 (2014) | Kinetics of liquid-phase oxidation of n-alkanes by hydrogen peroxide on the heterogeneous catalyst DP-1 | Abstract similar documents |
| A. V. Lunin, S. М. Danov, А. Е. Fedosov, М. Е. Fedosova | ||
| "... слова: жидкофазное окисление, кинетическая модель, высшие жирные спирты, силикалит титана. Введение ..." | ||
| 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 | ||
| "... -undecaborates were carried out by the first order Promega method using MP2(full)/6-311++G(2d,p) level of theory ..." | ||
| Vol 6, No 5 (2011) | Rearrangements of dicarba-nido-undecaborates | Abstract similar documents |
| S. P. Knyazev, A. Yu. Kostiykovitch | ||
| "... ) в приближениях B3LYP/6-31+G** и M062X/6-311+G**. Оптимизацию и расчет термодинамических функций ..." | ||
| Vol 8, No 5 (2013) | ENERGY SAVING IN EXTRACTIVE DISTILLATION | Abstract similar documents |
| E. A. Anokhina | ||
| "... The basic approaches are considered to the creation of energy efficient flowsheets for extractive ..." | ||
| Vol 10, No 1 (2015) | Energy efficiency of the rectification process | Abstract similar documents |
| M. K. Zakharov | ||
| "... эффективность, внутреннее энергосбережение. ENERGY EFFICIENCY OF THE RECTIFICATION PROCESS M.K. Zakharov M ..." | ||
| Vol 16, No 3 (2021) | Optimal modes of side-section flow in heat-pump-assisted extractive distillation systems for separating allyl alcohol–allyl acetate mixtures with butyl propionate | Abstract PDF (Eng) similar documents |
| P. S. Klauzner, D. G. Rudakov, E. A. Anokhina, A. V. Timoshenko | ||
| "... Objectives. To investigate the influence of side-section flow modes on the energy efficiency ..." | ||
| Vol 6, No 6 (2011) | Ultrafine fibers on the basis of biopolymer polyhydroxybutyrate (PHB) modified with nanosized modifications of titanium dioxide | Abstract similar documents |
| O. V. Staroverova, A. A. Olkhov, G. M. Kuzmicheva, E. N. Domoroshchina, S. V. Vlasov, Yu. N. Filatov | ||
| "... -гидроксибутирата, модифицированных наноразмерным диоксидом титана. Композитные материалы изучены методами ..." | ||
| Vol 2, No 1 (2008) | The multiwalled nanotubes based on titania and vanadia as polyfunctional compounds of platinum catalysts for carbon monoxide afterburning | Abstract similar documents |
| А. V. Grigorieva, А. B. Тarasov, Т. А. Anufrieva, L. Е. Derlyukova, А. S. Vyacheslavov, E. A. Goodilin | ||
| "... Рассмотрена возможность применения нанотрубок диоксида титана и пентоксида ванадия в качестве ..." | ||
| Vol 6, No 4 (2011) | Power saving in distillation using complexes with coupled flows | Abstract similar documents |
| A. V. Timoshenko, E. A. Anokhina, D. G. Rudakov, V. S. Timofeev, G. I. Tatsievskaya, Yu. V. Matyushenkova | ||
| "... and partially bound threads is described. Data on the energy efficiency of complexes are presented. ..." | ||
| 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 | ||
| "... триаде АР–НР– КР с помощью расчётов МО ЛКАО НХФ ССП по методу Рутаана и расчётов UB3LYP (6-31G) [13 ..." | ||
| Vol 4, No 1 (2009) | Energy consumption and energy saving while separation liquid mixtures by distillation methods | Abstract similar documents |
| M. K. Zakharov | ||
| "... consumption while separating them by distillation. It is shown that energy-saving in rectification ..." | ||
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