Order results by:
| Issue | Title | |
| 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 was found to differ depending on the phase. The B3LYP and CCSD(T) methods describe the molecular ..." | ||
| 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 3 (2011) | Theoretical study of the | Abstract similar documents |
| A. A. Mikhaylin, N. M. Klimenko, O. P. Charkin | ||
| "... hydroaluminates (Li, Na, K, Mg, Ca and Zn) by using the density functional (B3LYP) and coupled cluster (CCSD(T ..." | ||
| 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 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 18, No 6 (2023) | Effect of adding technologically processed antibodies to interferon-gamma into a parent solution on the structural features of triglycine sulfate crystals grown from this solution | Abstract PDF (Eng) similar documents |
| G. O. Stepanov, N. N. Rodionova, R. R. Konstantinov, K. A. Subbotin | ||
| 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 | ||
| "... and frequencies of normal modes of the molecules involved in these reactions were calculated using the Gaussian 4 ..." | ||
| Vol 16, No 2 (2021) | Dielectric properties of the system: 4-n-pentyloxybenzoic acid– N-(4-n-butyloxybenzylidene)-4᾽-methylaniline | Abstract PDF (Eng) similar documents |
| S. A. Syrbu, M. S. Fedorov, E. A. Lapykina, V. V. Novikov | ||
| "... dimers formed by two independent molecules due to a pair of hydrogen bonds. The crystal structure of N-(4 ..." | ||
| Vol 9, No 5 (2014) | Hypergraph models of hydrocarbon molecules and their applications in computer chemistry | Abstract similar documents |
| M. I. Skvortsova, I. I. Fashutdinova, N. A. Mikhailova | ||
| "... is suggested. A vertex of such hypergraph corresponds to a carbon atom in the molecule, and a hyperedge ..." | ||
| 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 | ||
| "... Calculations of parameters of function of full electron density in molecules of dicarba-nido ..." | ||
| 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 | ||
| "... compounds, in the molecules of which the benzene and azole cycles are annulated. These reagents are widely ..." | ||
| Vol 4, No 1 (2009) | Non-empirical calculations for minimal energetic reaction pathways of hf molecule addition to acetylene and methylacetylene | Abstract similar documents |
| Yu. B. Kirillov, N. M. Klimenko | ||
| "... were calculated. Reaction heat of HF addition to acetylene molecule is -19.5 kcal/mol, activation ..." | ||
| Vol 20, No 2 (2025) | New nanostructured carriers for cellulase immobilization | Abstract PDF (Eng) similar documents |
| A. M. Sulman, V. P. Molchanov, D. V. Balakshina, O. V. Grebennikova, V. G. Matveeva | ||
| Vol 3, No 2 (2008) | Forecasting the maximum absorption of bacteriochlorofyll a derivatives subject to conformational flexibility of molecules. | Abstract similar documents |
| A. A. Mezentseva, N. A. Mironova, E. V. Burlyeva | ||
| "... УЧЕТОМ КОНФОРМАЦИОННОЙ ГИБКОСТИ МОЛЕКУЛ А.А. Мезенцева, Н.А. Миронова, Е.В. Бурляева сследована ..." | ||
| Vol 15, No 5 (2020) | Synthesis and biological activity of N-phosphonacetyl-L-aspartate’s structural analogs N-(α-dietoxyphosphorylcyclopropylcarbonyl)-amino acids | Abstract PDF (Eng) similar documents |
| I. S. Kuzmin, G. A. Toporkov, D. Yu. Yuriev, A. V. Kalistratova, L. V. Kovalenko | ||
| "... hydrophobic fragment in the structure of a molecule due to the presence of a “hydrophobic pocket ..." | ||
| 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 15, No 6 (2020) | Structure–property models of organic compounds based on molecular graphs with elements of the spatial structures of the molecules | Abstract PDF (Eng) similar documents |
| N. A. Shulaeva, M. I. Skvortsova, N. A. Mikhailova | ||
| "... of the spatial structures of the corresponding molecules are used. The proposed method is realized in two steps ..." | ||
| 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 | ||
| "... -resolved electron diffraction, the new method for the structural dynamic studies of free molecules ..." | ||
| 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 7, No 6 (2012) | Non-empirical calculations of minimal energetic ways of addition of H2F2 and H2Cl2 molecules to acetylene and methylacetylene molecules | Abstract similar documents |
| Yu. B. Kirillov, N. M. Klimenko, O. N. Temkin | ||
| "... Surfaces of potential energy of gas phase addition reactions of H2F2 and H2Cl2 molecules ..." | ||
| 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 | ||
| "... parameters of hydroxycinnamic acid molecules was conducted via two methods, and the values of the charges ..." | ||
| 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 | ||
| "... and alkali-earth metals; 2) dissociative adsorption of hydrogen, methane and ethane molecules onto doped ..." | ||
| Vol 12, No 1 (2017) | ULTRAFAST TRANSMISSION ELECTRON MICROSCOPY | Abstract PDF (Eng) similar documents |
| A. A. Ischenko, Yu. I. Tarasov, E. A. Ryabov, S. A. Aseyev, L. Schäfer | ||
| "... coherent dynamics of nuclei in molecules and fast processes in chemical reactions in real time. Modern ..." | ||
| Vol 15, No 1 (2020) | Сationic liposomes as delivery systems for nucleic acids | Abstract PDF (Eng) similar documents |
| A. A. Mikheev, E. V. Shmendel, E. S. Zhestovskaya, G. V. Nazarov, M. A. Maslov | ||
| "... effect of NA molecules is determined by their physicochemical properties to a much greater extent than ..." | ||
| 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 9, No 6 (2014) | Effect of Al2O3 support on the activation parameters of the C–C bond catalytic cleavage in propanoic acid | Abstract similar documents |
| R. S. Shamsiev, I. E. Sokolov, V. R. Flid | ||
| "... molecule was studied with DFT-PBE approach using the model of Pd9 cluster supported on (Al2O3)4 and (Al2O3 ..." | ||
| 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 | ||
| "... characteristics of the various structures that may be implemented in the adsorption molecule fatty acid on copper ..." | ||
| 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 14, No 6 (2019) | Yakov Syrkin: On the 125th anniversary of his birthday | Abstract PDF (Eng) similar documents |
| S. S. Plotkin, A. V. Dorokhov, V. R. Flid | ||
| "... and Inorganic Chemistry of the USSR Academy of Sciences, and the Laboratory of the Structure of Molecules ..." | ||
| 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 8, No 2 (2013) | Acetamide complexes of samarium chloride and bromide | Abstract similar documents |
| L. Yu. Alikberova, D. V. Albov, A. S. Bushmeleva, G. A. Fedorova, V. V. Kravchenko | ||
| "... are presented. It was found that coordination of four molecules of acetamide and four molecules of water ..." | ||
| Vol 8, No 4 (2013) | BIURET COMPLEXES OF PRASEODYMIUM AND HOLMIUM BROMIDES | Abstract similar documents |
| L. Yu. Alikberova, T. A. Antonenko, D. V. Albov, G. A. Fedorova, M. G. Zaitseva, E. V. Volchkova | ||
| "... ) and uncoordinated bromide ions existing in the external sphere. Biuret molecules serve as bidentate ligands (through ..." | ||
| Vol 1, No 1 (2006) | Synthesis retinal analogues of spiropyran derivaties, investigation they interactions with bacteriorhodopsin from H. salinarum | Abstract similar documents |
| A. V. Laptev, A. Yu. Lukin, A. A. Khodonov | ||
| "... of a molecule on spiropyran moiety is shown. Process of interaction of the synthesized retinal analogues ..." | ||
| Vol 19, No 3 (2024) | PROTAC® technology and potential for its application in infection control | Abstract PDF (Eng) similar documents |
| M. A. Zakharova, M. V. Chudinov | ||
| "... molecules (PROTAC®, Proteolysis Targeting Chimera), approaches to the design of the PROTAC® molecule ..." | ||
| Vol 9, No 2 (2014) | Pegylation, as method of production prolonged forms of biopharmaceutical drugs (pegylated granulocyte colony-stimulating factor as case of study) | Abstract similar documents |
| I. А. Puchkov, D. I. Bairamashvili, V. I. Shvets | ||
| "... By now the pegylation of biologically active molecules including proteins with an inert hydrophilic ..." | ||
| Vol 10, No 1 (2015) | Biuret complexes of lanthanum bromide and gadolinium iodide | Abstract similar documents |
| L. Yu. Alikberova, T. A. Antonenko, D. V. Albov | ||
| "... sphere. Biuret molecules serve as bidentate ligands (through the oxygen atoms) and are transformed from ..." | ||
| Vol 12, No 2 (2017) | THERMAL DECOMPOSITION OF UROTROPINE COMPLEXES WITH NICKEL AND COBALT CHLORIDES | Abstract similar documents |
| D. V. Golubev, E. V. Savinkina, A. .. Al-Khazraji, M. N. Davydova | ||
| "... 1 shows stepwise mass loss caused by two-stage loss of all water molecules (up to 170°C) and one ..." | ||
| Vol 7, No 2 (2012) | About products of interaction of holmium chloride and bromide with carbamide | Abstract similar documents |
| L. Yu. Alikberova, D. V. Albov, P. S. Kibalnikov, G. A. Fyodorova, V. V. Kravchenko, N. S. Rukk | ||
| "... atoms of the water and carbamide molecules. The coordination polyhedra for I and II are distorted ..." | ||
| Vol 5, No 3 (2010) | Thiourea complexes of neodymium(III) and gadolinium(III) iodides. synthesis and structure | Abstract similar documents |
| L. Yu. Alikberova, D. V. Albov, T. A. Antonenko, I. M. Kochetova, N. S. Rukk | ||
| "... molecules and iodide ions. Due to hydrogen bond formation mutually perpendicular flat molecules of thiourea ..." | ||
| Vol 4, No 1 (2009) | Influence of Ca2+ on the adsorption of different surfactants in the bentonite-water interface | Abstract similar documents |
| B. V. Pokidko, E. F. Bukanova, I. A. Tutorsky, M. B. Il`ina | ||
| "... alkylphenols molecules intercalate in to the interlayer and form bylaeyer structure parallel to the surface ..." | ||
| Vol 13, No 2 (2018) | SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS | Abstract similar documents |
| A. V. Ezhov, F. Yu. Vyalba, K. A. Zhdanova, A. F. Mironov, K. Yu. Zhizhin, N. A. Bragina | ||
| "... and, consequently, the number of its molecules per unit area of the semiconductor, can have the greatest effect ..." | ||
| Vol 2, No 1 (2008) | Chemical properties of silylchloro derivatives of ethylene and acetylene | Abstract similar documents |
| V. G. Lakhtin, V. D. Sheludyakov, E. A. Chernyshev | ||
| "... depending on the amount of chlorine atoms and silyl groups and their positions in the molecule, as well ..." | ||
| Vol 16, No 1 (2021) | Comparing the original and biosimilar biotherapeutics of the monoclonal antibody eculizumab by intact mass measurement and middle-up mass spectrometry analysis | Abstract PDF (Eng) similar documents |
| M. B. Degterev, R. R. Shukurov | ||
| "... »® производства АО «ГЕНЕРИУМ» методами измерения молекулярных масс интактных молекул (intact mass measurement) и ..." | ||
| Vol 18, No 6 (2023) | Coordination compounds of indium, gadolinium, and erbium nitrates with low urea content | Abstract PDF (Eng) similar documents |
| E. V. Savinkina, I. A. Karavaev, E. K. Bettels, G. A. Buzanov, A. S. Kubasov | ||
| "... ; it involves two cis-arranged monodentate nitrate groups and four monodentate urea molecules. The coordination ..." | ||
| Vol 14, No 2 (2019) | Nanoarchitecture of Aggregates of Polymethine Dyes | Abstract similar documents |
| B. I. Shapiro | ||
| "... with the “brickwork” packing of molecules. The CH3 group promotes the formation of short-wave H-units ..." | ||
| Vol 14, No 5 (2019) | Structural features of synthetic glycoconjugates and efficiency of their interaction with glycoprotein receptors on the surface of hepatocytes | Abstract PDF (Eng) similar documents |
| A. S. Nosova, Yu. A. Budanova, Yu. L. Sebyakin | ||
| "... on the creation of molecules that can target particular body systems, organs and tissues, thus abating systemic ..." | ||
| Vol 7, No 1 (2012) | About samarium bromide - carbamide complexes | Abstract similar documents |
| Yu. L. Alikberova, V. D. Albov, S. A. Bushmeleva, A. G. Fedorova, V. V. Kravchenko, S. N. Rukk | ||
| "... and carbamide molecules. The coordination polyhedra are distorted tetragonal antiprisms. The coordination ..." | ||
| Vol 12, No 3 (2017) | MIXTURES OF NON-IONIC SURFACTANTS FOR CLEANING COMPOSITIONS | Abstract similar documents |
| E. F. Bukanova, V. M. Filippenkov, Y. Revina | ||
| "... a tertiary amine oxide (Oksipav) having a semipolar N→O bond in the molecule is introduced, the formation ..." | ||
| Vol 2, No 1 (2008) | Rheological properties and rheokinetic of Hardening of modified thermoset oligomeres | Abstract similar documents |
| H. V. Taranenko, L. B. Kandyrin | ||
| "... of their molecules length and may be calculated by wellknown power equation and was determined by phase structure ..." | ||
| Vol 8, No 5 (2013) | AB INITIO CALCULATION OF CAGE-LIKE SILOXANES AND METALLOSILOXANE STRUCTURE FORMATION | Abstract similar documents |
| M. S. Dronova, A. N. Bilyachenko, A. D. Kirilin, E. S. Shubina, М. М. Levitsky | ||
| "... незначительным количеством работ из- за сложностей, возникающих при расчете высоко- спиновых молекул. Так ..." | ||
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