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Issue Title
 
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 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 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 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 2, No 1 (2008) Alkoxysilanes – synthesis and application. I. synthesis of alkoxysilanes. Abstract  similar documents
A. V. Gavrilova, A. D. Kirilin, L. O. Belova, Е. А. Korobova
"... Alkoxysilanes is the unique class of organosilicon compounds that have various fields ..."
 
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 3, No 4 (2008) The alkoxysilanes – synthesis and application. II. The «direct synthesis», the propertes and the applicaton. Abstract  similar documents
A. D. Kirilin, L. O. Belova, A. V. Gavrilova, E. A. Korobova
"... The review summarizes studies on the «direct synthesis» of alkoxysilanes. Their properties ..."
 
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 5 (2013) FUNCTIONAL SIMULATION OF PRODUCTION OF METHYL TERTIARY BUTYL ETHER Abstract  similar documents
R. Yu. Tarasenko, E. V. Burlyaeva
"... . It describes the production technology and quality control procedure for methyl tertiary butyl ether ..."
 
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
"... methods based on the density functional theory (DFT). The location of the frontier unbound molecular ..."
 
Vol 8, No 5 (2013) THEORETICAL STUDY OF THE ADSORPTION OF PROPIONIC ACID OVER Cu15AND Pd15 CLUSTERS Abstract  similar documents
F. O. Danilov, A. Yu. Skryabina, V. V. Zamalutin, R. S. Shamsiev
 
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
"... ) has been studied using the density functional theory (DFT-PBE). Calculations indicated that in all ..."
 
Vol 3, No 4 (2008) Synthesis of non-phosphorus ether glycerolipids containing a pyridinium ring. Abstract  similar documents
S. G. Romanov, V. G. Romanov, N. V. Pliavnik, G. A. Serebrennikova, A. A. Shtil
"... The synthesis of new non-phosphorus ether glycerolipids containing a pyridinium ring in a polar ..."
 
Vol 14, No 4 (2019) On the use of aqueous solutions of polyvinyl methyl ether for the embolization of blood vessels Abstract  PDF (Eng)  similar documents
P. E. Ignatieva, E. S. Zhavoronok, O. A. Legonkova, S. A. Kedik
"... Aqueous solutions of polyvinyl methyl ether were investigated in order to test whether ..."
 
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 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 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 5, No 4 (2010) Study of catalytic properties of zirconium-aluminium oxide and zirconium-containing calcium aluminate materials in the process of methanol dehydration Abstract  similar documents
M. A. Kruglova, M. P. Yaroshenko, S. N. Antonyuk, E. Z. Golosman
"... be promising catalysts for obtaining dimethyl ether. ..."
 
Vol 7, No 6 (2012) Solution of applied one-dimensional linear boundary-value problems with automatic precision Abstract  similar documents
A. V. Korovaytsev, E. A. Korovaytseva, V. A. Lomovskoy
 
Vol 4, No 2 (2009) Electrowire and magnetic elastomer materials and multipurpose goods. Abstract  similar documents
A. E. Kornev, N. Yа. Ovsyannikov
 
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
 
Vol 13, No 4 (2018) AMPEROMETRIC DETERMINATION OF PERRHENATE ANION USING A MICROSCOPIC INTERFACES BETWEEN TWO IMMISCIBLE ELECTROLYTE SOLUTIONS Abstract  PDF (Eng)  similar documents
L. Yu. Martynov, E. V. Lopatukhin, A. A. Astafyev, A. M. Shakhov, V. A. Nadtochenko, N. K. Zaitsev
"... . The characteristics of perrhenate ions transfer at the water/2-nitrophenyloctyl ether interface were first ..."
 
Vol 6, No 2 (2011) Hybrid retinoid analogs as instruments for the nanobiophotonic researches Abstract  similar documents
A. A. Khodonov, A. V. Laptev, A. Yu. Lukin, N. E. Belikov, M. A. Fomin, O. V. Demina, D. A. Skladnev, S. A. Tyurin, V. I. Shvets
 
Vol 15, No 3 (2020) Investigation of surface tension and contact angles for effective polymer binders based on epoxy oligomers and active diluents Abstract  PDF (Eng)  similar documents
A. D. Bresskaya, D. A. Trofimov, I. D. Simonov-Emel’yanov, S. I. Shalgunov, V. I. Sokolov
"... at different temperatures. The active diluents were aliphatic compounds based on glycidyl ethers, namely ..."
 
Vol 5, No 5 (2010) Biazeotropy in three-phase mixtures Abstract  similar documents
L. A. Serafimov, T. V. Chelyuskina, E. A. Sharonova
"... Evolution of diagrams of biazeotropic three-phase mixture methyl tert-butyl ether - water at high ..."
 
Vol 3, No 5 (2008) Synthesis and study of cytotoxic and hemolytic activity of cationic glycerolipids alkyl type. Synthesis and study of cytotoxic and hemolytic activity of cationic glycerolipids alkyl type. Abstract  similar documents
S. G. Romanova, G. A. Serebrennikova, A. A. Shtil
"... The synthesis of new cationic ether glycerolipids, non-phosphoros analogues of edelfosine ..."
 
Vol 1, No 4 (2006) Active derivatives based on D-galactose and D-lactose in synthesis of neoglycoconjugates Abstract  similar documents
L. Yu. Guryeva, A. A. Severyanova, Y. L. Sebyakin
"... ethers of carbohydrates is offered. ..."
 
Vol 7, No 5 (2012) Stationary states in reactive distillation columns Abstract  similar documents
M. A. Samborskaya, O. E. Mityanina, K. V. Dyorina
"... with methyl-tert-butyl ether as an example. Three steady states of the process corresponding to different ..."
 
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
"... of the antipyrine carbonyl group. The calculated results (DFT/PBE/L11) are in good agreement with the experimental ..."
 
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
"... Several ab initio (DFT-B3PW91/6-31g(d,p)) calculations of cage-like siloxanes (MeSiO1.5)n (n = 4-12 ..."
 
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
"... Data of experimental and theoretical study (DFT method) of electron-rich metal phenanthrocyanines ..."
 
Vol 4, No 4 (2009) Specifics of cross-aldol condensation of acetaldehyde with formaldehyde in presence of aminoacids and their derivatives Abstract  similar documents
L. V. Dashko, D. V. Dmitriev, V. R. Flid
"... and their ether- and benzoil-derivatives were studied in pyridine, N, N-dymethylacetamide, water and toluene ..."
 
Vol 3, No 6 (2008) Lipoxygenation of fatty acids in plants Abstract  similar documents
A. B. Golovanov, G. I. Miagkova, N. V. Groza
"... such as leaf aldehydes or divinyl ethers, and a plant-specific blend of volatiles including leaf alcohols ..."
 
Vol 6, No 6 (2011) The features of producing the first generation biodiesel in an apparatus with a vortex sheet Abstract  similar documents
T. A. Mamedova, A. G. Talibov, N. K. Andryushenko, Z. M. Alieva, Kh. Sh. Teyubov, V. F. Tretyakov, S. V. Ivanov, V. N. Torhovsky
"... acid ether. ..."
 
Vol 8, No 4 (2013) THE INFLUENCE OF REACTIVE DILUENT ON REOKINETICS OF HEAT-RESISTANCE BINDERS BASED ON POLYFUNCTIONAL EPOXY RESIN Abstract  similar documents
A. Yu. Zarubina, V. S. Kozhevnikov, A. N. Trofimov, T. N. Pavlova, I. D. Simonov-Emelyanov
"... reactive diluents containing glycidyl ether, and the glass transition temperature and the degradation ..."
 
Vol 8, No 3 (2013) The rheological properties of heat-resistant binders based on a polyfunctional epoxy resin Abstract  similar documents
A. Yu. Zarubina, V. S. Kozhevnikov, A. N. Trofimov, T. N. Pavlova, I. D. Simonov-Emelyanov
"... The influence of a low-viscosity reactive solvent containing glycidyl ether on the rheological ..."
 
Vol 10, No 1 (2015) The methods of prediction of vaporization enthalpy for acyclic oxygen containing compounds Abstract  similar documents
E. L. Krasnykh
"... of enthalpies of vaporization (298.2K) with high accuracy for the esters and ethers, aldehydes, ketones ..."
 
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 12, No 1 (2017) ABOUT THERMAL STABILITY OF BISMUTH(III) IODINE ETIOPORPHYRIN II COMPLEX Abstract  similar documents
D. V. Golubev, V. D. Rumyantseva, V. V. Fomichev
"... of FT-IR spectra obtained at room temperature and at 145°С is reported. Priroda15 DFT package was used ..."
 
Vol 15, No 1 (2020) Drawing PT-phase envelopes and calculating critical points for multicomponent systems using flash calculations Abstract  PDF (Eng)  PDF (Eng)  similar documents
L. A. Toro
"... ) (three different compositions); C2C3C4C5C6 (one composition); isobutane–methanol–methyl tertbutyl ether–1 ..."
 
Vol 2, No 1 (2008) Rheological properties and rheokinetic of Hardening of modified thermoset oligomeres Abstract  similar documents
H. V. Taranenko, L. B. Kandyrin
"... Modification of epoxy resins of silicon ethers (tethraetoxysilane – TEOS, and ethylsilicate – ET-40 ..."
 
Vol 11, No 3 (2016) The multivariate calculation of material balances of flowsheets for separating ternary mixtures of different physical-chemical nature Abstract  PDF (Eng)  similar documents
A. V. Frolkova, M. A. Ablizin, M. A. Mayevskiy, A. K. Frolkova
"... of azeotropes (classes 3.1.0, 3.1.1, 3.2.1 and 3.3.1). For all the systems flowsheets containing three ..."
 
Vol 12, No 1 (2017) SYNTHESIS, PREPARATIVE SEPARATION OF STRUCTURE ISOMERS AND PROPERTIES OF 2-(2-(DIALKYLAMINO)ETHYLAMINO)ETHANOLS OF ARYLALIPHATIC SERIES Abstract  similar documents
D. Q. Hoang, E. Ya. Borisova, N. Yu. Borisova, A. V. Krylov, N. A. Danilkin, A. G. Samokhin
"... was converted into dihydrochlorides by dry HCl in dioxane and diethyl ether. Pure 2-(2-(dialkylamino)ethylamino ..."
 
Vol 7, No 2 (2012) Preceramic monomers for silicon carbonitride and nitride production by means of chemical vapor deposition Abstract  similar documents
O. G. Ryzhova, A. A. Grigoryev, P. А. Storozhenko, A. N. Polivanov, S. V. Zhukova, T. I. Shulyatyeva, I. A. Timofeev, Е. А. Bogachev
"... may be arranged in the following sequence: rubber solvent > rubber solvent + DE (diethyl ether ..."
 
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