Quantum-chemical calculation of modified silicon-contained zeolite clusters electronic structure by zink and calcium ions
Combination of methods quantum chemistry. Geometrical and electronic structure of clinoptilolite clusters modified by zinc and calcium. Redistribution of electronic density on the oxygen atoms of clusters during formation of bonds with zinc and calcium.
Подобные документы
Advances in the organometallic chemistry of heterocyclic ligands. Unique photochemical and electrochemical properties organomanganese and organorhenium complexes of polypyridine ligands, their ability to form molecular assemblies and nanocrystallites.
статья, добавлен 05.03.2013The implementation of the process of aggregation of the nanofiller in the production of nanocomposites polymer/carbon nanotubes, formation of nanotubes ropes and their bending. Effect of ultrasound on aggregation of carbon nanotubes of the second type.
статья, добавлен 23.02.2016Magnesium as a chemical element and a silvery-white, light-weight metal. Notable characteristics, applications. As the metal. Incendiary use, in magnesium compounds. History, sources, ores, sea water, electrolysis. Biological role, isotopes, precautions.
реферат, добавлен 13.11.2009Physico-chemical characteristics of I-40 and MS-20 commercial mineral oils. The use of such oils for the lubrication of molds in the manufacture of glass containers. The study of the thermal stability of oils and their fractions of hydrocarbons.
статья, добавлен 23.02.2016Synthesis semizwitterionic viologens for the crystal engineering of functional materials. Application of the control positions of molecules in crystals using hydrogen bonds. The triple helices had obtained by tunig the spacer between donor and acceptor.
статья, добавлен 17.02.2014The novel approach to chemical design of carbon-coated Al2O3 nanoparticles with an average particle size of 8-10 nm was developed. Carbon coating was synthesised by modification of fumed alumina support with 4,4-methylenebis and its subsequent pyrolysis.
автореферат, добавлен 02.04.2014Using phosphoric acid and phosphor pent oxide as new catalyst for preparing of derivatives of benzoxazole. Use of benzoaxol ring in medicinal chemistry. Synthesis of 1,3-(Benzene-1,3-diyl) bis(benzoxazole). Synthesis of 3-(2-Hydroxynaphthol) benzoxazole.
статья, добавлен 21.01.2021Study the chemical modification polyglycidyl phenolformaldehyde oligomers by methacrylic acid using a catalyst benzyltriethylammonium chloride. The influence of time, temperature on the rate of reaction between compounds. A structuring chemical mixtures.
статья, добавлен 23.02.2016Main calculation of activation volumes for interstitials and vacancie. Diffusion equations for point defects. Surface generation and recombination of point defects. Simulation of stacking fault growth. Simulation of stress-nediated dopant diffusion.
статья, добавлен 29.04.2017The use of block copolymers on the basis of oxides of ethylene and propylene as demulsifiers of oil emulsions. Determination of the dependence of their physico-chemical properties from the content oxyethylene and oxypropylene groups in the molecule.
статья, добавлен 23.02.2016Organometallic complexes of Non-Transition Metals with Scandium, Titanium, and Vanadium Group Metals, with Chromium Group Metals, with Three, Two and One Carbonyl Groups. Meaning of polypyridine ligands, especially the formation rhenium and ruthenium.
научная работа, добавлен 05.03.2013Identification techniques of fluacizine by color reactions and thin layer chromatography. The results of chromatographic analysis of fluacizine for two systems of solvents. The fluacizine detection by UV-spectrophotometry in phosphate buffer solution.
статья, добавлен 25.03.2016Established based on the theory of nuclear interactions and data on the binding energy of nucleons for the set of known nuclides. Familiarization with fragment of the periodic table of chemical elements. Characteristic of parameters of the metric tensor.
статья, добавлен 29.04.2017- 114. Organic сhemistry
Chemical properties of organic compounds derived from ammonia. The mechanism of substitution of hydrogen for hydrocarbon radicals within molecules. Classification of the most common amines. Familiarization with the formula for the secondary amine.
презентация, добавлен 06.12.2016 - 115. Ti-Al alloy
A new process for developing titanium aluminides using chemical vapor synthesis was investigated in a laboratory experiment. Aluminum subchloride was used as the reducing agent in the reaction with TiCl4 and the source of aluminum for Ti-Al alloy.
лабораторная работа, добавлен 01.11.2019 To study the activity of functional groups of polyurethanes, the characteristics of the stabilization process, the formation of silver nanoparticles. The use of antimicrobial polymeric materials. The interaction of hydrogen bonds between groups of biuret.
статья, добавлен 30.07.2016Investigation of the influence intercalation ions of Ni2+ on the electrical properties of indium selenide crystals. The surface of InSe layered crystals. Investigation of magnetic properties of intercalated NiXInSe. The basic samples of InSe.
статья, добавлен 30.07.2016Chemical derivatives of 1,2,4-thiazole as biologically active chemicals intended for the protection of plants for agricultural purposes, such as biocides and fungicides when preserving books. Impact of chemicals on humans, animals and the environment.
статья, добавлен 21.07.2018Carbon as the element essential to all of life, and hence the basis for a vast field of study. Electronegativity value of fluorine. Plastic polystyrene - important product of the hydrocarbon family. Chemical properties of carboxylic acids and esters.
доклад, добавлен 15.09.2014Chemical hazards and toxic substances pose a wide range of health hazards (such as irritation, sensitization, and carcinogenicity) and physical hazards (such as flammability, corrosion, and explosibility). Explosives. Gases. Flammable liquids, solids.
презентация, добавлен 18.09.2016Thiophene ring closure in pyridine derivatives. Syntheses of tri- and polycyclic systems based on thienopyridines. Pyridine ring closure in thiophene derivatives. Methods for the preparation of thieno[3,2-b]pyridine derivatives and their properties.
статья, добавлен 05.03.2013Structure, a composition, a biological role, synthesis and catabolism of phospholipids. Conversion of Squalene to Cholesterol. Determination of interdependence of the deficiency of hydrolytic enzymes and lysosoms support sphingolipidosis development.
презентация, добавлен 05.10.2015The use of cation exchanger as a catalyst for the esterification reaction of diisopropyl ether absolutes - a method for creating waste-free technology for the production of isopropyl alcohol. The physical-chemical properties of received esterificates.
статья, добавлен 20.09.2018Chemical identification of polymer additives and its significance for links in the plastics supply chain. The effect of additives on the properties of materials and on the cost of production of polymers. Quantitative determination of polymer additives.
статья, добавлен 10.03.2019The technology for the synthesis of two coumarin-chalcone hybrids by means of Kleisen-Schmidt condensation between 3-acetylcoumarin with benzaldehyde and 4-chlorobenzaldehyde, respectively. Method of identification and control of a chemical process.
статья, добавлен 15.01.2021